SCHEMBL21032170

SCHEMBL21032170

COC(=O)c1cc2c(cc1C(F)(F)F)S(=O)(=O)CCC2(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
CFTR P13569 6/20 0.38
NOTUM Q6P988 2/20 0.36
PDK2 Q15119 6/20 0.33
MAPT P10636 1/20 0.33
SOS1 Q07889 1/20 0.32
ESRRA P11474 1/20 0.32

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
SCHEMBL21032454 0.79 PTGDR2 (0.46) PTGDR2CFTRNOTUMMAPTESRRA
SCHEMBL21186601 0.76 PDK2 (0.44) PTGDR2NOTUMPDK2MAPT
SCHEMBL8058195 0.75 CFTR (0.39) CFTRNOTUMPDK2MAPTSOS1
SCHEMBL21032167 0.74 PTGDR2 (0.51) PTGDR2
SCHEMBL8062790 0.74 NOTUM (0.43) PTGDR2CFTRNOTUMMAPTSOS1
SCHEMBL8045064 0.71 CFTR (0.36) CFTRNOTUMPDK2MAPTESRRA
SCHEMBL8062894 0.68 CFTR (0.40) CFTRNOTUMPDK2MAPTSOS1
SCHEMBL8056417 0.68 CFTR (0.39) CFTRNOTUMPDK2MAPTSOS1
SCHEMBL8045223 0.67 RXRA (0.38)
SCHEMBL24983697 0.66 CFTR (0.51) CFTRNOTUMPDK2MAPTSOS1

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 97/4885CFTR 2515/4885NOTUM 3239/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 PTGDR2 97/4885CFTR 2515/4885NOTUM 3239/4885

“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.