SCHEMBL25985347

SCHEMBL25985347

COc1cc(C)c(C(=O)C(C)N=C=S)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.33
TAS1R1 Q7RTX1 5/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
STING1 Q86WV6 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL23486043 0.88 ALDH1A1 (0.33) MAPTKDM4EHPGDGAA
SCHEMBL5460805 0.75 TAS1R3 (0.38) TAS1R3TAS1R1MAPTPOLBHPGD
SCHEMBL14767358 0.71 ALDH1A1 (0.39) TAS1R3TAS1R1MAPTPOLBKDM4E
SCHEMBL2139729 0.69 LCK (0.50) MAPTPOLBKDM4EHPGDTSHR
SCHEMBL1753958 0.69 HTT (0.52) MAPTKDM4EHPGDTSHRHSD17B10
SCHEMBL25647564 0.68 NNMT (0.51) KDM4EHPGDTSHRGAA
SCHEMBL11065578 0.68 KDM4E (0.52) MAPTPOLBKDM4EHPGDHSD17B10
SCHEMBL6927455 0.68 TAAR1 (0.39) TAS1R3TAS1R1MAPTPOLBKDM4E
SCHEMBL10289261 0.67 KDM4E (0.41) MAPTPOLBKDM4EHPGDHSD17B10
SCHEMBL5460148 0.66 KDM4E (0.41) TAS1R3TAS1R1KDM4EHPGDSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255942-A1 CRF1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA QUOTIENT SCIENCES LIMITED (GB) 2023-08-17 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 (1 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 TAS1R3 1998/4885TAS1R1 1028/4885MAPT 4436/4885

“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.