SCHEMBL3498102

SCHEMBL3498102

O=C(O)C1=Cc2ccc(-c3ccc(Cl)cc3)cc2SC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALAD P13716 1/20 0.41
NOTUM Q6P988 1/20 0.38
CTRC Q99895 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
ALOX5 P09917 1/20 0.34
CNR1 P21554 3/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMO O15229 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
CDH1 P12830 1/20 0.33
CTNNB1 P35222 1/20 0.33

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
SCHEMBL3499406 0.84 CA12 (0.45) CA12NPC1RAB9A
SCHEMBL3202351 0.79 KMT2A (0.39) NOTUMTSHRMEN1HTTKMT2A
SCHEMBL3498192 0.74 MCL1 (0.42) RXRARXRBMCL1
SCHEMBL214797 0.72 NOTUM (0.40) NOTUMALOX5ALOX15TSHRHTT
SCHEMBL3500297 0.69 MEN1 (0.45) ALOX5MEN1HTTKMT2A
SCHEMBL3199374 0.68 NOTUM (0.47) NOTUMTSHRMEN1HTTKMT2A
SCHEMBL3499284 0.66 ALAD (0.35) ALADNOTUMCTRCRXRARXRB
SCHEMBL3186332 0.64 MAOA (0.42) ALOX5CA12
SCHEMBL8484026 0.63 SRD5A1 (0.50) NOTUMALOX15TSHRMEN1HTT
SCHEMBL3417670 0.61 TSHR (0.70) ALADNOTUMALOX5ERCC5FEN1

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 ALAD 4797/4885NOTUM 4060/4885CTRC 4621/4885

“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.