SCHEMBL17048441

SCHEMBL17048441

O=S(=O)(c1cccc(CO)c1)N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 4/20 0.60
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 1/20 0.59
IL1RN P18510 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
THRB P10828 1/20 0.58
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.54
MITF O75030 1/20 0.52
NOD2 Q9HC29 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL1002282 0.98 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL18584842 0.86 L3MBTL1 (0.63) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL12327773 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL5143836 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL2994061 0.83 GAA (0.63) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL256083 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL31728120 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL1001472 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNATSHRHTT
Hydrochloric Acid SCHEMBL5476884 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL22070944 0.80 AKR1C3 (0.64) ALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106255679-B As NAThe heterocyclic compound and application thereof of V channel inhibitor 默克专利有限公司 2019-09-06 CN disclosed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
EP-3110794-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-01-04 EP disclosed
CN-106255679-A As Naheterocyclic compound of V channel inhibitor and application thereof 默克专利有限公司 2016-12-21 CN disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-03 WO disclosed
WO-2015130905-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-03 WO 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 (3 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A ALDH1A1 3556/4885SMN1; SMN2 393/4885LMNA 968/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A ALDH1A1 3556/4885SMN1; SMN2 393/4885LMNA 968/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A ALDH1A1 3556/4885SMN1; SMN2 393/4885LMNA 968/4885

“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.