SCHEMBL21032890

SCHEMBL21032890

COC(=O)c1ccc2c(c1)N(C)S(=O)(=O)CC2O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4136834 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL30864276 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL8060718 0.74 CA12 (0.44) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL31571141 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL4149010 0.71 CASP3 (0.48) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL13926402 0.68 KDM4E (0.42) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL4141162 0.68 KDM4E (0.42) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL4141158 0.68 KDM4E (0.42) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL8058129 0.68 ALDH1A1 (0.44) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL27291679 0.68 KDM4E (0.47) ALDH1A1KDM4EALOX15CASP1CASP7

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
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

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-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 ALDH1A1 1366/4885KDM4E 4467/4885ALOX15 982/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 ALDH1A1 1366/4885KDM4E 4467/4885ALOX15 982/4885

“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.