SCHEMBL435702

SCHEMBL435702

COC(=O)Cc1onc(C)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HTT P42858 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 4/20 0.33
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL12473718 0.80 PTGS2 (0.38) ALDH1A1TSHRPOLBSMN1; SMN2GAA
SCHEMBL28766107 0.79 TSHR (0.38) ALDH1A1HTTHSD17B10HSP90AB1TSHR
SCHEMBL2717857 0.78 HTT (0.47) ALDH1A1HTTHSD17B10TSHRPOLB
SCHEMBL2718249 0.78 ALDH1A1 (0.38) ALDH1A1HTTHSD17B10HSP90AB1TSHR
SCHEMBL18722037 0.72 LMNA (0.35)
SCHEMBL18255993 0.71 P2RX7 (0.49) ALDH1A1HTTGAAMEN1ALOX15
SCHEMBL15248902 0.71 PTGS2 (0.44)
SCHEMBL28782164 0.69 ALDH1A1 (0.43) ALDH1A1HTTHSD17B10POLBCNR2
SCHEMBL17624098 0.69
SCHEMBL22317121 0.67 TSHR (0.38) ALDH1A1HTTHSD17B10TSHRSMN1; SMN2

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
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 ALDH1A1 2410/4885HTT 1049/4885HSD17B10 649/4885

“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.