SCHEMBL21027976

SCHEMBL21027976

O=C(O)C1CCCc2c(Cc3cccnc3S(=O)(=O)c3ccc(F)cc3)c3ccccc3n21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.49
PTGDR Q13258 9/20 0.39
TBXA2R P21731 7/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
DRD2 P14416 1/20 0.38
GABRA1 P14867 1/20 0.38
ADRA1D P25100 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL21027972 0.94 PTGDR2 (0.45) PTGDR2PTGDR
SCHEMBL21027857 0.92 PTGDR2 (0.47) PTGDR2PTGDRTBXA2R
SCHEMBL21028014 0.81 PTGDR2 (0.42) PTGDR2PTGDR
SCHEMBL21028084 0.79 PTGDR2 (0.50) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL21028015 0.77 ALDH1A1 (0.38) PTGDR2CYP3A4ATM
SCHEMBL21028018 0.75 PTGDR2 (0.34) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL21027858 0.74 PTGDR2 (0.50) PTGDR2PTGDRTBXA2R
SCHEMBL21027975 0.74 PTGDR2 (0.44) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL21028003 0.73 PTGDR2 (0.49) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL21028287 0.73 PTGDR2 (0.41) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4

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 3 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
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 US disclosed
EP-3489235-A1 TRICYCLIC COMPOUND 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-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 PTGDR2 152/4885PTGDR 412/4885TBXA2R 184/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 PTGDR2 313/4885PTGDR 550/4885TBXA2R 122/4885

“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.