SCHEMBL23588068

SCHEMBL23588068

C=C(Cc1nc(-c2cccc(CCCC)c2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 5/20 0.42
▸ SPHK1 Q9NYA1 5/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 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
SCHEMBL23588102 0.88 SPHK1 (0.48) SPHK2SPHK1L3MBTL1TP53NPC1
SCHEMBL25297027 0.86 L3MBTL1 (0.46) SPHK2SPHK1PTPN1MAPK1L3MBTL1
SCHEMBL29843966 0.86 L3MBTL1 (0.46) SPHK2SPHK1PTPN1MAPK1L3MBTL1
SCHEMBL23588271 0.85 SPHK1 (0.53) SPHK2SPHK1
SCHEMBL29974028 0.85 MEN1 (0.39) MAPK1L3MBTL1TDP1TSHRKMT2A
SCHEMBL23578283 0.85 MEN1 (0.39) MAPK1L3MBTL1TDP1TSHRKMT2A
SCHEMBL23588077 0.80 ACACB (0.52) TP53NPC1RAB9ALMNA
SCHEMBL23578220 0.79 GSTP1 (0.40) MAPK1TP53
SCHEMBL29973428 0.79 GSTP1 (0.40) MAPK1TP53
SCHEMBL25801788 0.78 ALDH1A1 (0.36) TP53NPC1RAB9ATSHR

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 4 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
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 SPHK2 3631/4885SPHK1 3875/4885PTPN1 3263/4885

“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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