SCHEMBL23588102

SCHEMBL23588102

C=C(Cc1nc(-c2ccc(CCCC)cc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ S1PR1 P21453 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ S1PR4 O95977 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ TP53 P04637 2/20 0.41
▸ KLF5 Q13887 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL23588271 0.97 SPHK1 (0.53) SPHK1S1PR1S1PR5SPHK2
SCHEMBL23588068 0.88 SPHK2 (0.42) SPHK1RAB9ANPC1SPHK2TP53
SCHEMBL25801985 0.88 HDAC8 (0.43) SPHK1SMN1; SMN2S1PR1RAB9AS1PR4
SCHEMBL23588077 0.88 ACACB (0.52) SMN1; SMN2S1PR1RAB9ANPC1MAPT
SCHEMBL25801979 0.87 S1PR4 (0.44) SMN1; SMN2S1PR1RAB9ANPC1ALDH1A1
SCHEMBL25801988 0.86 SPHK1 (0.45) SPHK1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25801788 0.85 ALDH1A1 (0.36) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL23578423 0.85 SPHK1 (0.54) SPHK1SMN1; SMN2S1PR1RAB9ANPC1
SCHEMBL25802137 0.85 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTFFAR1TDP1
SCHEMBL23588349 0.84 TP53 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3875/4885SMN1; SMN2 3151/4885S1PR1 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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