SCHEMBL21027972

SCHEMBL21027972

O=C(O)C1CCCc2c(Cc3cccnc3S(=O)(=O)c3ccccc3)c3ccccc3n21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.45
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR6 P50406 4/20 0.34
PTGDR Q13258 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
COMT P21964 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21027857 0.94 PTGDR2 (0.47) PTGDR2HTR6PTGDRL3MBTL1TDP1
SCHEMBL21027976 0.94 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL21028014 0.86 PTGDR2 (0.42) PTGDR2MEN1RAB9AKMT2AHTR6
SCHEMBL21028015 0.81 ALDH1A1 (0.38) PTGDR2MEN1RAB9AKMT2AL3MBTL1
SCHEMBL21028025 0.77 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL21027975 0.75 PTGDR2 (0.44) PTGDR2MEN1KMT2AHTR6PTGDR
SCHEMBL21028003 0.75 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL21028324 0.74 PTGDR2 (0.42) PTGDR2PTGDR
SCHEMBL21028287 0.73 PTGDR2 (0.41) PTGDR2PTGDR
SCHEMBL21028077 0.67 MEN1 (0.41) MEN1KMT2A

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 152/4885MEN1 1870/4885RAB9A 3506/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 PTGDR2 313/4885MEN1 2955/4885RAB9A 2700/4885

“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.