SCHEMBL6429598

SCHEMBL6429598

CCCS(=O)(=O)CC(N)=NO

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.34
NOS2 P35228 1/20 0.32
FAAH O00519 3/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6429593 1.00 CYP2D6 (0.35) CYP2D6TSHRNOS2FAAHCES2
SCHEMBL9094426 0.88 CES1 (0.41) CYP2D6TSHRFAAHCES2CES1
SCHEMBL4766675 0.75 FAAH (0.38) NOS2FAAHCES2CES1LMNA
SCHEMBL19611569 0.72
SCHEMBL642066 0.72
SCHEMBL642067 0.72
SCHEMBL19611624 0.71 CYP2D6 (0.36) CYP2D6TSHR
SCHEMBL641576 0.71 CYP2D6 (0.36) CYP2D6TSHR
SCHEMBL641575 0.71 CYP2D6 (0.36) CYP2D6TSHR
SCHEMBL30621719 0.67 FAAH (0.39) TSHRFAAHCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897306-B2 3-heterocyclylpropanohydroxamic acids PFIZER PRODUCTS, INC. (US) 2005-05-24 US disclosed
EP-1240152-B1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-08 EP disclosed
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids BAILEY SIMON (US) 2003-06-26 US disclosed
EP-1240152-A1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2002-09-18 EP disclosed
US-6448278-B2 ANTISCARRING AGENT PFIZER INC. 2002-09-10 US disclosed
US-20010021718-A1 Procollagen C-proteinase inhibitors PFIZER INC. 2001-09-13 US disclosed
WO-2001047901-A1 OX(ADI)AZOLYL-HYDROXAMIC ACIDS USEFUL AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2001-07-05 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 (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-20010021718-A1 Procollagen C-proteinase inhibitors MMP1, CTSL, PREP CYP2D6 622/4885TSHR 4012/4885NOS2 3573/4885
US-20030119807-A1 3-Heterocyclylpropanohydroxamic acids CPA1, MMP1, PREP CYP2D6 164/4885TSHR 3877/4885NOS2 3679/4885

“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.