SCHEMBL21028095

SCHEMBL21028095

COC(=O)c1cc(C#N)c(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CFTR P13569 1/20 0.43
AR P10275 6/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOTUM Q6P988 2/20 0.40
PGR P06401 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL21028092 0.83 CFTR (0.63) GAACFTRARMAPTLMNA
SCHEMBL22833375 0.83 NOTUM (0.48) GAACFTRARMAPTLMNA
SCHEMBL21028094 0.80 GAA (0.42) GAACFTRARMAPTLMNA
SCHEMBL23754117 0.78 GAA (0.46) GAACFTRARMAPTLMNA
SCHEMBL17110455 0.78 CFTR (0.56) GAACFTRMAPTKDM4EHPGD
SCHEMBL17110481 0.78 NOTUM (0.55) GAACFTRMAPTLMNANPSR1
SCHEMBL2772574 0.78 GAA (0.44) GAAMAPTLMNAKDM4ERXFP1
SCHEMBL23930401 0.77 CFTR (0.56) GAACFTRMAPTLMNAKDM4E
SCHEMBL23930403 0.77 NOTUM (0.48) GAACFTRARMAPTLMNA
SCHEMBL7086639 0.76 GAA (0.47) GAACFTRMAPTLMNAKDM4E

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 7 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-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-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 (4 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 GAA 4351/4885CFTR 2515/4885AR 447/4885
US-10800765-B2 Indole derivative used as CRTH2 inhibitor NR3C2, CRHR2, TPH2 GAA 4351/4885CFTR 2515/4885AR 447/4885
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 GAA 3326/4885CFTR 589/4885AR 418/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 GAA 2327/4885CFTR 811/4885AR 453/4885

“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.