SCHEMBL25801979

SCHEMBL25801979

C=C(Cc1nc(-c2ccc(CCC(F)(F)F)cc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.44
▸ S1PR1 P21453 2/20 0.44
▸ S1PR5 Q9H228 2/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ FFAR1 O14842 4/20 0.43
▸ HDAC4 P56524 3/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 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
SCHEMBL25801985 0.93 HDAC8 (0.43) S1PR4S1PR1S1PR5S1PR3FFAR1
SCHEMBL23588102 0.87 SPHK1 (0.48) S1PR4S1PR1S1PR5FFAR1HDAC4
SCHEMBL23588271 0.86 SPHK1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL23578022 0.85 S1PR4 (0.51) S1PR4S1PR1S1PR5S1PR3FFAR1
SCHEMBL25801988 0.85 SPHK1 (0.45) FFAR1TP53RAB9AKLF5SMN1; SMN2
SCHEMBL25802137 0.84 MAPT (0.50) FFAR1HDAC2HDAC8SMN1; SMN2HDAC1
SCHEMBL25802075 0.83 TP53 (0.42) HDAC2HDAC8TP53RAB9AKLF5
SCHEMBL25801756 0.83 TSHR (0.55) HDAC2HDAC8RAB9ASMN1; SMN2NPC1
SCHEMBL25802130 0.83 TP53 (0.42) TP53RAB9AKLF5SMN1; SMN2NPC1
SCHEMBL25802125 0.83 MEN1 (0.46) TP53RAB9AKLF5SMN1; SMN2NPC1

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 3 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

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 S1PR4 3562/4885S1PR1 2590/4885S1PR5 3119/4885

“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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