SCHEMBL6761817

SCHEMBL6761817

Cc1nc(C2CC2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.41
GPR35 Q9HC97 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 1/20 0.36
PKM P14618 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
CFB P00751 1/20 0.35

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
SCHEMBL21858616 0.93 ALDH1A1 (0.49) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
SCHEMBL18114152 0.93 ALDH1A1 (0.49) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
SCHEMBL4762312 0.91 ALDH1A1 (0.47) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
SCHEMBL21858733 0.89 PIK3CD (0.52) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
Hydrochloric Acid SCHEMBL20378314 0.86 PIK3CD (0.43) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
SCHEMBL26632556 0.84 BTK (0.42) ALDH1A1HPGDTSHRKDM4ENPC1
SCHEMBL18114129 0.82 PIK3CD (0.47) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
SCHEMBL21858596 0.82 ALDH1A1 (0.45) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
SCHEMBL4419714 0.80 TSHR (0.41) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD
Hydrochloric Acid SCHEMBL21858794 0.78 PIK3CD (0.40) ALDH1A1HPGDTSHRSMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236608-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-07-24 US disclosed
EP-4578451-A2 COMPOUNDS AND COMPOSITIONS AS SPPL2A INHIBITORS Novartis AG (CH) 2025-07-02 EP disclosed
EP-4214210-B1 COMPOUNDS AND COMPOSITIONS AS SPPL2A INHIBITORS NOVARTIS AG (CH) 2025-04-09 EP disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
EP-3277678-B1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO INC (US) 2020-03-18 EP disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 US disclosed
EP-3277678-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NantBioScience, Inc. (US) 2018-02-07 EP disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 WO disclosed
WO-2016161361-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIOSCIENCE, INC. (US) 2016-10-06 WO disclosed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 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 (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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 ALDH1A1 3565/4885HPGD 2716/4885TSHR 4010/4885
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS ALDH1A1 4472/4885HPGD 2564/4885TSHR 4248/4885
US-20250236608-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 ALDH1A1 2147/4885HPGD 3572/4885TSHR 976/4885

“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.