SCHEMBL21028302

SCHEMBL21028302

O=Cc1ccc2c(c1)C(F)(F)CCS2(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL670268 0.81 LOX (0.37) ALDH1A1HSD17B10TDP1KDM4EPTGS2
SCHEMBL21028001 0.78 PTGDR2 (0.41) PTGDR2ALDH1A1TDP1
SCHEMBL21186599 0.74 PTGDR2 (0.46) PTGDR2
SCHEMBL21032174 0.71 ALDH1A1 (0.33) ALDH1A1HSD17B10TDP1KDM4EPTGS2
SCHEMBL21186601 0.71 PDK2 (0.44) PTGDR2ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL21028030 0.68 CA2 (0.51) PTGDR2ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL21028294 0.68 CA1 (0.40) PTGDR2ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL21032481 0.68 CCR1 (0.34)
SCHEMBL24133700 0.66 ALDH1A1 (0.37) ALDH1A1HSD17B10TDP1KDM4EPTGS2
SCHEMBL10368722 0.66 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1KDM4EPTGS2

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 PTGDR2 77/4885ALDH1A1 2041/4885HSD17B10 1295/4885
US-20200347040-A1 CRYSTAL FORM OF INDOLE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF HRH1, HRH2, MC2R PTGDR2 77/4885ALDH1A1 2041/4885HSD17B10 1295/4885
US-20190248770-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR NR3C2, CRHR2, TPH2 PTGDR2 97/4885ALDH1A1 1366/4885HSD17B10 901/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 PTGDR2 97/4885ALDH1A1 1366/4885HSD17B10 901/4885
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 PTGDR2 152/4885ALDH1A1 3257/4885HSD17B10 440/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 PTGDR2 313/4885ALDH1A1 3139/4885HSD17B10 460/4885

“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.