SCHEMBL21031908

SCHEMBL21031908

COC(=O)c1ccc2c(c1)N(C)CN(C)S2(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 8/20 0.49
HSD17B10 Q99714 3/20 0.49
ALOX15 P16050 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 1/20 0.48
CASP3 P42574 1/20 0.46
HPGD P15428 5/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL8062935 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10ALOX15CASP1
SCHEMBL24704618 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10ALOX15CASP1
SCHEMBL21032192 0.74 CFTR (0.38) MAPTNPC1
SCHEMBL21031910 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10ALOX15CASP1
SCHEMBL5415041 0.73 SMN1; SMN2 (0.56) ALDH1A1KDM4EHSD17B10ALOX15CASP1
SCHEMBL21031913 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL8058184 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10ALOX15CASP1
SCHEMBL21031911 0.71 KDM4E (0.44) ALDH1A1KDM4EHSD17B10ALOX15CASP1
SCHEMBL8058129 0.70 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10ALOX15CASP1
SCHEMBL29070076 0.69 PTPRC (0.42) ALDH1A1KDM4EHSD17B10ALOX15CASP1

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 4467/4885HSD17B10 901/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 ALDH1A1 1366/4885KDM4E 4467/4885HSD17B10 901/4885

“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.