SCHEMBL21032402

SCHEMBL21032402

Cc1c(Cc2cc3c(cc2F)S(=O)(=O)CCC3(F)F)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.83
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGDR Q13258 1/20 0.49

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
SCHEMBL24179993 0.93 PTGDR2 (0.72) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL21031953 0.91 PTGDR2 (1.00) PTGDR2
SCHEMBL21031856 0.87 PTGDR2 (0.73) PTGDR2
SCHEMBL21031914 0.85 PTGDR2 (1.00) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL21032404 0.82 PTGDR2 (0.63) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL24179998 0.81 PTGDR2 (0.62) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL21031852 0.80 PTGDR2 (0.64) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL1784755 0.78 PTGDR2 (0.72) PTGDR2
SCHEMBL21186598 0.78 PTGDR2 (0.61) PTGDR2
SCHEMBL21031915 0.78 PTGDR2 (0.72) PTGDR2CYP1A2CYP3A4CYP2C8CYP2D6

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 PTGDR2 97/4885CYP1A2 2055/4885CYP3A4 4182/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 PTGDR2 97/4885CYP1A2 2055/4885CYP3A4 4182/4885

“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.