SCHEMBL25801985

SCHEMBL25801985

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.43
▸ HDAC2 Q92769 6/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.41
▸ FFAR1 O14842 4/20 0.41
▸ HDAC4 P56524 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25801979 0.93 S1PR4 (0.44) HDAC8HDAC2HDAC1FFAR1HDAC4
SCHEMBL23588271 0.89 SPHK1 (0.53) SPHK1S1PR1S1PR3S1PR5
SCHEMBL23588102 0.88 SPHK1 (0.48) SPHK1FFAR1HDAC4TP53RAB9A
SCHEMBL25296476 0.86 HDAC8 (0.46) HDAC8HDAC2HDAC1SPHK1FFAR1
SCHEMBL25801988 0.82 SPHK1 (0.45) SPHK1FFAR1TP53RAB9AKLF5
SCHEMBL25802137 0.81 MAPT (0.50) HDAC8HDAC2HDAC1FFAR1SMN1; SMN2
SCHEMBL23588349 0.81 TP53 (0.41) HDAC8HDAC2HDAC1TP53RAB9A
SCHEMBL23578565 0.81 HDAC1 (0.30) HDAC8HDAC2HDAC1
SCHEMBL25801764 0.81 HDAC1 (0.30) HDAC8HDAC2HDAC1
SCHEMBL25802075 0.80 TP53 (0.42) HDAC8HDAC2HDAC1TP53RAB9A

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 HDAC8 2705/4885HDAC2 1538/4885HDAC1 1829/4885

“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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