SCHEMBL23588255

SCHEMBL23588255

C=C(Cc1nc(Cc2ccc3ccccc3c2)no1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TBXA2R P21731 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ SRC P12931 2/20 0.38
▸ ZAP70 P43403 2/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL29844025 1.00 TSHR (0.46) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23578293 0.83 TSHR (0.38) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL29973191 0.83 TSHR (0.38) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL29844162 0.83 TSHR (0.62) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23588088 0.83 TSHR (0.62) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL25216596 0.81 MAPT (0.48) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL29844221 0.80 MAPK1 (0.49) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23588364 0.80 MAPK1 (0.49) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23578213 0.80 TSHR (0.49) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23588168 0.79 MAPT (0.40) TSHRMAPK1TDP1ALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN claimed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 — — US disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN disclosed
WO-2021130492-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2021-07-01 — — WO 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 (1 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 TSHR 3550/4885MAPK1 3947/4885TDP1 2097/4885

“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.

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