SCHEMBL12169652

SCHEMBL12169652

CN(Cc1ccccn1)S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 2/20 0.52
LIN28A Q9H9Z2 1/20 0.52
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KCNA5 P22460 2/20 0.47
MEN1 O00255 2/20 0.47
CYP11B2 P19099 1/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20732854 0.81 KMT2A (0.50) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL14029808 0.81 KMT2A (0.71) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL10127528 0.79 KMT2A (0.51) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL210394 0.77 TDP1 (0.63) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL29894985 0.77 TDP1 (0.63) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL804182 0.77 TDP1 (0.63) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL12339285 0.76 KMT2A (0.55) KMT2ASMN1; SMN2TDP1MAPTLIN28A
Hydrochloric Acid SCHEMBL28308406 0.75 TDP1 (0.61) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL12089127 0.74 TDP1 (0.55) KMT2ASMN1; SMN2TDP1MAPTLIN28A
SCHEMBL13466370 0.74 ALDH1A1 (0.40) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. 2016-12-15 US disclosed
US-9359329-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2016-06-07 US disclosed
US-9359329-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2016-06-07 US disclosed
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US disclosed
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US disclosed
US-9233952-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS INC (US) 2015-10-08 US disclosed
US-8952056-B2 Methods for inhibiting drug degradation SEQUOIA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8673970-B2 HIV protease inhibitor and cytochrome p450 inhibitor combinations SEQUOIA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS INC (US) 2014-01-23 US disclosed
US-8481520-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-08 US disclosed
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-08 US disclosed
US-8048871-B2 Inhibitors that when coadministered with a drug that undergoes in vivo degradation by cytochrome P450 enzyme, improves the pharmacokinetics, bioavailability and disease treatment such as of HIV, Hepatitis C virus, diabetes, epilepsy, cancer, depression; amide or sulfonamide-functional benzofurans SEQUOIA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SEQUOIA PHARMACEUTICALS, INC. (MD) 2011-05-12 US disclosed
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION SEQUOIA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KMT2A 3386/4885SMN1; SMN2 3320/4885TDP1 1375/4885
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 KMT2A 3463/4885SMN1; SMN2 1634/4885TDP1 4552/4885
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KMT2A 3386/4885SMN1; SMN2 3320/4885TDP1 1375/4885
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 KMT2A 2347/4885SMN1; SMN2 4787/4885TDP1 3756/4885
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SERPINB1, CYP3A43, PREP KMT2A 2993/4885SMN1; SMN2 4420/4885TDP1 518/4885
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KMT2A 3386/4885SMN1; SMN2 3320/4885TDP1 1375/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 KMT2A 4463/4885SMN1; SMN2 4829/4885TDP1 4583/4885
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 KMT2A 3463/4885SMN1; SMN2 1634/4885TDP1 4552/4885
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 KMT2A 3066/4885SMN1; SMN2 3290/4885TDP1 1383/4885
US-20110098237-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 KMT2A 3066/4885SMN1; SMN2 3290/4885TDP1 1383/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.