SCHEMBL25216596

SCHEMBL25216596

C=C(Cc1nc(Cc2ccc(Cl)cc2)no1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
SMPD1 P17405 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL23588105 0.96 NPC1 (0.49) MAPTTSHRMAPK1TDP1NPC1
SCHEMBL23588036 0.88 TRPA1 (0.45) TSHRSMPD1ALDH1A1SMN1; SMN2
SCHEMBL25805242 0.88 TSHR (0.41) MAPTTSHRMAPK1TDP1L3MBTL1
SCHEMBL23588055 0.87 TSHR (0.40) MAPTTSHRMAPK1TDP1NPC1
SCHEMBL23578441 0.86 ALDH1A1 (0.43) TSHRSMPD1ALDH1A1SMN1; SMN2
SCHEMBL29844162 0.86 TSHR (0.62) MAPTTSHRMAPK1TDP1HTT
SCHEMBL23588088 0.86 TSHR (0.62) MAPTTSHRMAPK1TDP1HTT
SCHEMBL23588168 0.85 MAPT (0.40) MAPTTSHRMAPK1TDP1NPC1
SCHEMBL25210766 0.85 MAPT (0.45) MAPTTSHRMAPK1TDP1NPC1
SCHEMBL23588299 0.84 MAPT (0.39) MAPTTSHRMAPK1TDP1L3MBTL1

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 10 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-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2024-01-18 US disclosed
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2024-01-18 US disclosed
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2024-01-18 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
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
EP-4192821-A1 ALPHA,BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2023-06-14 EP disclosed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 EP disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 CN 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 MAPT 4683/4885TSHR 3550/4885MAPK1 3947/4885
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES PTGS1, PTGER1, PTGES2 MAPT 4043/4885TSHR 3299/4885MAPK1 1138/4885

“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.