SCHEMBL4152484

SCHEMBL4152484

O=C1CSc2ccc(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
AURKA O14965 1/20 0.49
CHEK2 O96017 1/20 0.49
CDK1 P06493 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
CSNK2A1 P68400 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6812146 0.84 HTT (0.41) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL29595944 0.81 VHL (0.64) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL12743 0.81 VHL (0.64) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL5118761 0.78 VHL (0.51) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL5858953 0.76 ALDH1A1 (0.50) VHLELOCELOBALDH1A1CA1
SCHEMBL5329304 0.76 S100A4 (0.43) VHLELOCELOBCA1CA2
SCHEMBL30829218 0.76 S100A4 (0.43) VHLELOCELOBCA1CA2
SCHEMBL10054228 0.76 EPHX2 (0.49) VHLELOCELOBALDH1A1HPGD
SCHEMBL68898 0.76 VHL (0.68) VHLELOCELOBALDH1A1HPGD
SCHEMBL69406 0.76 PTPN5 (0.43) NOTUMVHLELOCELOBALDH1A1

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-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-10800765-B2 Indole derivative used as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-10-13 US disclosed
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-08-15 US disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
EP-1888569-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 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 (3 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-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 NOTUM 3239/4885AURKA 3004/4885CHEK2 2765/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 NOTUM 3239/4885AURKA 3004/4885CHEK2 2765/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 NOTUM 2760/4885AURKA 4606/4885CHEK2 4840/4885

“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.