SCHEMBL23588257

SCHEMBL23588257

C=C(Cc1nc(-c2ccc(CCCCC)cc2)no1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 4/20 0.58
▸ SPHK2 Q9NRA0 2/20 0.52
▸ S1PR1 P21453 3/20 0.50
▸ S1PR5 Q9H228 1/20 0.50
▸ S1PR2 O95136 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ LPAR2 Q9HBW0 1/20 0.48
▸ RARB P10826 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL23578423 0.96 SPHK1 (0.54) SPHK1SPHK2S1PR1S1PR5RARB
SCHEMBL25296476 0.85 HDAC8 (0.46) SPHK1S1PR1S1PR5S1PR3ATM
SCHEMBL23588271 0.85 SPHK1 (0.53) SPHK1SPHK2S1PR1S1PR5S1PR2
SCHEMBL25299009 0.84 ALDH1A1 (0.45) SPHK1RARBALDH1A1MAPT
SCHEMBL23578433 0.84 ACACB (0.57) ATMTDP1L3MBTL1NPC1ALDH1A1
SCHEMBL25297027 0.83 L3MBTL1 (0.46) SPHK1SPHK2TDP1L3MBTL1NPC1
SCHEMBL29843966 0.83 L3MBTL1 (0.46) SPHK1SPHK2TDP1L3MBTL1NPC1
SCHEMBL23588102 0.81 SPHK1 (0.48) SPHK1SPHK2S1PR1S1PR5ATM
SCHEMBL23578022 0.81 S1PR4 (0.51) S1PR1S1PR5S1PR3L3MBTL1NPC1
SCHEMBL25802136 0.81 MAPT (0.53) ATMTDP1L3MBTL1NPC1ALDH1A1

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 7 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
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
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 SPHK1 3875/4885SPHK2 3631/4885S1PR1 2590/4885

“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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