SCHEMBL22067296

SCHEMBL22067296

COC(=O)c1ccc(C)cc1SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
CYP46A1 Q9Y6A2 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43

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
SCHEMBL7572980 0.84 GAA (0.49) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL17504939 0.82 NR4A2 (0.49) NR4A2TDP1L3MBTL1TSHRCA12
SCHEMBL9660800 0.80 CYP46A1 (0.44) NR4A2CYP46A1TDP1L3MBTL1TSHR
SCHEMBL9660805 0.80 HSD17B10 (0.50) NR4A2CYP46A1TDP1L3MBTL1TSHR
SCHEMBL10610561 0.80 NR4A2 (0.42) NR4A2CYP46A1TDP1CA12CA1
SCHEMBL1206018 0.80 CYP46A1 (0.57) NR4A2CYP46A1TDP1L3MBTL1TSHR
SCHEMBL158111 0.79 TDP1 (0.57) NR4A2CYP46A1TDP1CA12CA1
SCHEMBL8495058 0.79 CSNK2A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13817373 0.79 CYP46A1 (0.56) NR4A2CYP46A1TDP1L3MBTL1TSHR
SCHEMBL7575696 0.78 MAPT (0.43) TDP1L3MBTL1TSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 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 (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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 NR4A2 44/4885CYP46A1 1183/4885TDP1 3406/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 NR4A2 52/4885CYP46A1 1050/4885TDP1 3355/4885

“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.