SCHEMBL21028303

SCHEMBL21028303

COC(=O)c1ccc2c(c1)C(F)(F)CCS2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.56
RARB P10826 7/20 0.56
RARG P13631 7/20 0.56
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK2 Q15119 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL7414449 0.77 RARB (0.71) RARARARBRARGALDH1A1ALOX15
SCHEMBL24401017 0.77 PDK2 (0.48) ALDH1A1ALOX15HSD17B10KDM4ECASP1
SCHEMBL21383082 0.76 ALDH1A1 (0.61) RARARARBRARGALDH1A1ALOX15
SCHEMBL24400676 0.72 PDK2 (0.47) ALDH1A1ALOX15HSD17B10KDM4ECASP1
SCHEMBL21186601 0.72 PDK2 (0.44) ALDH1A1ALOX15HSD17B10KDM4ECASP1
SCHEMBL3142775 0.72 ALDH1A1 (0.57) RARARARBRARGALDH1A1ALOX15
SCHEMBL21385292 0.70 ALDH1A1 (0.55) RARARARBRARGALDH1A1ALOX15
SCHEMBL27355436 0.70 ALDH1A1 (0.51) RARARARBRARGALDH1A1ALOX15
SCHEMBL8708590 0.70 RARA (0.61) RARARARBRARGALDH1A1ALOX15
SCHEMBL2263868 0.69 ALDH1A1 (0.53) RARARARBRARGALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-13 US disclosed
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 US disclosed
US-11034681-B2 Crystal form of indole derivative and preparation method and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. 2021-06-15 US disclosed
EP-3741754-A1 CRYSTAL FORM OF INDOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-11-25 EP disclosed
US-20200347040-A1 CRYSTAL FORM OF INDOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-11-05 US 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
WO-2019141241-A1 CRYSTAL FORM OF INDOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF 正大天晴药业集团股份有限公司 2019-07-25 WO disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP 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 (6 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-11034681-B2 Crystal form of indole derivative and preparation method and use thereof HRH1, HRH2, MC2R RARA 2436/4885RARB 2169/4885RARG 2873/4885
US-20200347040-A1 CRYSTAL FORM OF INDOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF HRH1, HRH2, MC2R RARA 2436/4885RARB 2169/4885RARG 2873/4885
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 RARA 2878/4885RARB 1859/4885RARG 3337/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 RARA 2878/4885RARB 1859/4885RARG 3337/4885
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 RARA 1556/4885RARB 825/4885RARG 1722/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 RARA 1118/4885RARB 638/4885RARG 1333/4885

“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.