SCHEMBL21032192

SCHEMBL21032192

COC(=O)c1cc2c(cc1C(F)(F)F)S(=O)(=O)N(C)CN2C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.38
NOTUM Q6P988 2/20 0.36
WDR5 P61964 2/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
KCNN4 O15554 2/20 0.32
RBP4 P02753 2/20 0.32
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 0.76 PTGDR2 (0.46) CFTRNOTUMWDR5MAPTNPC1
SCHEMBL21266555 0.74 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4
SCHEMBL21031908 0.74 ALDH1A1 (0.49) MAPTNPC1
SCHEMBL8062894 0.68 CFTR (0.40) CFTRNOTUMMAPTKCNN4SOS1
SCHEMBL20605394 0.67 CFTR (0.47) CFTRNOTUMMAPTNPC1PKM
SCHEMBL8062790 0.67 NOTUM (0.43) CFTRNOTUMMAPTSOS1
SCHEMBL24983697 0.66 CFTR (0.51) CFTRNOTUMMAPTSOS1
SCHEMBL8057300 0.66 CFTR (0.46) CFTRNOTUMMAPTNPC1PKM
SCHEMBL21032170 0.66 PTGDR2 (0.44) CFTRNOTUMMAPTSOS1ESRRA
SCHEMBL15920408 0.65 CFTR (0.57) CFTRNOTUMMAPTSOS1

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 CFTR 2515/4885NOTUM 3239/4885WDR5 1214/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 CFTR 2515/4885NOTUM 3239/4885WDR5 1214/4885

“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.