SCHEMBL6858871

SCHEMBL6858871

N#CN1Cc2ccc3ccccc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
TEAD1 P28347 5/20 0.43
TEAD4 Q15561 5/20 0.43
TEAD2 Q15562 5/20 0.43
USP7 Q93009 4/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TEAD3 Q99594 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
KCNH2 Q12809 1/20 0.38
ANPEP P15144 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL6858788 0.75 CTSL (0.64) CTSLCTSBCTSKTEAD1TEAD4
SCHEMBL5275095 0.74 KDM4E (0.56) KDM4EMAPTALDH1A1CYP2A6TSHR
SCHEMBL22061852 0.74 CTSL (0.52) CTSLCTSBCTSKTEAD1TEAD4
SCHEMBL19357687 0.69 UCHL1 (0.49) CTSLCTSBCTSKTEAD1TEAD4
SCHEMBL9705360 0.69 CTSL (0.47) CTSLCTSBCTSKTEAD1TEAD4
SCHEMBL19357728 0.68 TEAD1 (0.47) CTSLCTSBCTSKTEAD1TEAD4
SCHEMBL29811500 0.68 ANPEP (0.55) KDM4EMAPTALDH1A1CYP2A6TSHR
SCHEMBL2535555 0.68 ANPEP (0.55) KDM4EMAPTALDH1A1CYP2A6TSHR
SCHEMBL31274510 0.68 ANPEP (0.55) KDM4EMAPTALDH1A1CYP2A6TSHR
Cyanide SCHEMBL27836000 0.67 ANPEP (0.50) KDM4EMAPTALDH1A1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229226-A1 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2003-12-11 US claimed
EP-1272467-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2003-05-07 EP claimed
EP-1272467-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-08 EP claimed
WO-2001077073-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-10-18 WO claimed
US-6835727-B2 Bone disorders; osteoporosis; rheumatic diseases MERCK FROSST CANADA & CO. (CA) 2004-12-28 US disclosed
US-20030229226-A1 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2003-12-11 US disclosed
EP-1272467-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2003-05-07 EP disclosed
EP-1272467-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-08 EP disclosed
WO-2001077073-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-10-18 WO 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-20030229226-A1 Cathepsin cysteine protease inhibitors CTSK, CTSZ, CTSE CTSL 10/4885CTSB 5/4885CTSK 1/4885

“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.