SCHEMBL18129185

SCHEMBL18129185

CCC(c1cccc(Cl)c1)N(C1CCN(C(=O)OC(C)(C)C)CC1)[SH](=O)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.48
TP53 P04637 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4597911 0.77 MEN1 (0.53) STSTP53POLBMEN1KMT2A
SCHEMBL5575926 0.75 STS (0.57) STSTP53POLBSMN1; SMN2MAPT
SCHEMBL4306307 0.74 MEN1 (0.57) STSTP53POLBMEN1KMT2A
SCHEMBL4597915 0.73 STS (0.52) STSMAPTNPC1ALDH1A1MAPK1
SCHEMBL14593425 0.73 CYP3A4 (0.48) STSTP53POLBMEN1KMT2A
SCHEMBL13804207 0.73 STS (0.52) STSTP53POLBSMN1; SMN2MAPT
SCHEMBL4608693 0.72 STS (0.53) STSTP53POLBSMN1; SMN2MAPT
SCHEMBL4313481 0.72 MEN1 (0.52) STSTP53POLBMEN1KMT2A
SCHEMBL21674297 0.72 SMN1; SMN2 (0.57) STSTP53POLBMEN1KMT2A
SCHEMBL3958093 0.72 CHRM3 (0.51) STSMEN1KMT2ASMN1; SMN2MAPT

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
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC STS 192/4885TP53 3200/4885POLB 3344/4885

“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.