SCHEMBL23630652

SCHEMBL23630652

COc1cnc2c(c1)cc(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.49
TBXA2R P21731 3/20 0.46
P2RX3 P56373 2/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 3/20 0.46
PTGES2 Q9H7Z7 5/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL23270754 0.88 TBXA2R (0.41) ALOX5APTBXA2RP2RX3PTGESALOX5
SCHEMBL3090980 0.83 LMNA (0.48) TBXA2RP2RX3KDM4ECYP1A2CYP3A4
SCHEMBL3088330 0.82 TP53 (0.46) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3091570 0.78 P2RX3 (0.45) P2RX3KDM4EMAPTTSHRHSD17B10
SCHEMBL23270748 0.78 ALOX5AP (0.63) ALOX5APPTGESALOX5PTGES2KDM4E
SCHEMBL30181768 0.78 ALOX5AP (0.63) ALOX5APPTGESALOX5PTGES2KDM4E
SCHEMBL3095865 0.77 CCR2 (0.43) TBXA2RP2RX3CYP1A2CYP3A4MAPT
SCHEMBL3095854 0.77 CCR2 (0.43) TBXA2RP2RX3CYP1A2CYP3A4MAPT
SCHEMBL9959514 0.77 TP53 (0.44) KDM4ECYP1A2CYP3A4MAPTCYP2C9
SCHEMBL3096637 0.75 MAPT (0.52) P2RX3KDM4ECYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2024-02-08 US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 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 (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-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO ALOX5AP 3709/4885TBXA2R 2140/4885P2RX3 3466/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO ALOX5AP 3783/4885TBXA2R 2087/4885P2RX3 4056/4885

“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.