SCHEMBL10112095

SCHEMBL10112095

CC(C)CC[C@H](COCc1ccc(Cl)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12153280 1.00 HTT (0.46) HTTHPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL15576813 0.89 HTT (0.48) HTTHPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL10127339 0.85 HTT (0.47) HTTHPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL22431708 0.85 AGXT (0.41) HTTHPGDKMT2ASMN1; SMN2GAA
SCHEMBL10112073 0.83 TSHR (0.48) HTTKMT2ACA1CA2CA9
SCHEMBL19699720 0.83 TSHR (0.48) HTTKMT2ACA1CA2CA9
SCHEMBL12153202 0.82 HTT (0.53) HTTHPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL10973793 0.75 HTT (0.57) HTTHPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL8607141 0.75 SLC6A2 (0.57) HTTHPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL18580919 0.75 SLC6A2 (0.57) HTTHPGDKMT2ASMN1; SMN2NPSR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS, INC., 2020-09-17 US disclosed
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. 2016-12-15 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-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-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SEQUOIA PHARMACEUTICALS, INC. (MD) 2011-05-12 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 (6 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-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 HTT 4552/4885HPGD 236/4885KMT2A 2347/4885
US-20160361287-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 HTT 3140/4885HPGD 140/4885KMT2A 3386/4885
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SERPINB1, CYP3A43, PREP HTT 4189/4885HPGD 304/4885KMT2A 2993/4885
US-20140024671-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 HTT 3140/4885HPGD 140/4885KMT2A 3386/4885
US-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 HTT 3140/4885HPGD 140/4885KMT2A 3386/4885
US-20150284352-A1 METHODS FOR INHIBITING DRUG DEGRADATION CYP2E1, CYP3A43, CYP3A5 HTT 2132/4885HPGD 147/4885KMT2A 3066/4885

“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.