SCHEMBL306216

SCHEMBL306216

CCN[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.43
ANPEP P15144 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL536302 1.00 APAF1 (0.49) APAF1SMN1; SMN2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL2552987 0.98 APAF1 (0.47) APAF1SMN1; SMN2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL304495 0.98 APAF1 (0.47) APAF1SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL19333969 0.87 CYP2D6 (0.45) APAF1SMN1; SMN2MEN1KMT2ANAALAD2
SCHEMBL15765595 0.86 SMN1; SMN2 (0.45) APAF1SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL22133173 0.86 SMN1; SMN2 (0.45) APAF1SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL15711164 0.86 SMN1; SMN2 (0.45) APAF1SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL11039517 0.85 FOLH1 (0.51) SMN1; SMN2KMT2ANAALAD2CYP2D6SRC
SCHEMBL12159277 0.85 SMN1; SMN2 (0.51) APAF1SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL19333959 0.84 APAF1 (0.49) APAF1SMN1; SMN2MEN1KMT2ANAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 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 (8 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL APAF1 1828/4885SMN1; SMN2 4310/4885SIGMAR1 1191/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS APAF1 1674/4885SMN1; SMN2 4352/4885SIGMAR1 1110/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 APAF1 603/4885SMN1; SMN2 1564/4885SIGMAR1 2522/4885
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 APAF1 4349/4885SMN1; SMN2 3283/4885SIGMAR1 79/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS APAF1 1674/4885SMN1; SMN2 4352/4885SIGMAR1 1110/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS APAF1 1674/4885SMN1; SMN2 4352/4885SIGMAR1 1110/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 APAF1 603/4885SMN1; SMN2 1564/4885SIGMAR1 2522/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS APAF1 1674/4885SMN1; SMN2 4352/4885SIGMAR1 1110/4885

“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.