SCHEMBL21028023

SCHEMBL21028023

COC(=O)CC1CCCc2c(Cc3ccc(S(C)(=O)=O)cc3)c3ccccc3n21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.39
MAPK8 P45983 3/20 0.39
NPC1 O15118 2/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
RORC P51449 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PTGDR Q13258 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21028026 0.91 PTGDR2 (0.46) PTGDR2PTGDRALDH1A1HPGD
SCHEMBL21027975 0.82 PTGDR2 (0.44) PTGDR2MAPK8PTGDRKDM4E
SCHEMBL21028081 0.80 PTGDR2 (0.39) PTGDR2MAPK8HCRTR1HCRTR2PTGDR
SCHEMBL24141336 0.76 PER2 (0.39) PTGDR2MAPK8HCRTR1HCRTR2PTGDR
SCHEMBL21028080 0.76 FFAR1 (0.39) PTGDR2PTGDRKDM4EALDH1A1
SCHEMBL21028002 0.74 PTGDR2 (0.42) PTGDR2PTGDRALDH1A1HPGD
SCHEMBL21028288 0.70 PTGDR2 (0.52) PTGDR2PTGDR
SCHEMBL21028076 0.66 KDM4E (0.42) PTGDRKDM4EALDH1A1
SCHEMBL21028287 0.66 PTGDR2 (0.41) PTGDR2RORCPTGDR
SCHEMBL21028027 0.66 KMT2A (0.37) NPC1HCRTR1HCRTR2KDM4EALDH1A1

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 152/4885MAPK8 1300/4885NPC1 777/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 PTGDR2 313/4885MAPK8 701/4885NPC1 476/4885

“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.