SCHEMBL14767358

SCHEMBL14767358

COc1cc(C)c(C(=O)C(C)SC#N)cc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
ELANE P08246 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25871834 0.88 SMN1; SMN2 (0.35) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL115839 0.88 SMN1; SMN2 (0.35) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL29936639 0.88 SMN1; SMN2 (0.35) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL29813282 0.79 MEN1 (0.31) MAPT
SCHEMBL5460805 0.75 TAS1R3 (0.38) ALDH1A1MAPTHPGDTAS1R3TAS1R1
SCHEMBL24809655 0.74 TSHR (0.32) MAPTTSHR
SCHEMBL23182669 0.73 TSHR (0.31) MAPTTSHR
SCHEMBL25985347 0.71 TAS1R3 (0.33) MAPTHPGDTAS1R3TAS1R1KDM4E
SCHEMBL9999441 0.69 LMNA (0.34) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL1753958 0.69 HTT (0.52) ALDH1A1MAPTL3MBTL1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. 2023-09-14 US disclosed
US-20230255942-A1 CRF1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA QUOTIENT SCIENCES LIMITED (GB) 2023-08-17 US disclosed
EP-2424848-B1 Process for the preparation of [4-(2-chloro-4-methoxy-5-methylphenyl)-5-methyl-thiazol-2-yl]-[2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-ethyl]-amine SANOFI SA (FR) 2013-03-13 EP 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 (2 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-20230255942-A1 CRF1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA CRHR1, MC2R, CRHR2 ALDH1A1 802/4885MAPT 4436/4885ELANE 1726/4885
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE CYP21A2, NR5A1, HSD3B1 ALDH1A1 700/4885MAPT 3081/4885ELANE 2497/4885

“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.