SCHEMBL21032580

SCHEMBL21032580

COC(=O)c1cc2c(cc1F)S(=O)(=O)CC(O)(O)C2(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
PDK2 Q15119 6/20 0.33
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
WDR5 P61964 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
SCHEMBL8045039 0.77 RARB (0.35) PDK2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL8062997 0.73 PIK3CA (0.34) PKMPDK2ALDH1A1HPGDHSD17B10
SCHEMBL522786 0.68 CA12 (0.47) PDK2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL8062941 0.67 KDM4E (0.35) PDK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8058138 0.65 KDM4E (0.36) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL8058193 0.65 VEGFA (0.41) PKMPDK2ALDH1A1HPGDHSD17B10
SCHEMBL410165 0.65 ALPL (0.45) PKMPDK2ALDH1A1HPGDHSD17B10
SCHEMBL8058195 0.64 CFTR (0.39) PDK2MAPT
SCHEMBL8060665 0.64 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL8045342 0.64 ALDH1A1 (0.33) PKMPDK2ALDH1A1HPGDHSD17B10

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 PKM 3536/4885PDK2 309/4885ALDH1A1 1366/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 PKM 3536/4885PDK2 309/4885ALDH1A1 1366/4885

“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.