SCHEMBL25801987

SCHEMBL25801987

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC1 Q13547 4/20 0.38
FFAR1 O14842 2/20 0.36
SPHK2 Q9NRA0 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL25801981 0.94 S1PR4 (0.39) HDAC8HDAC2HDAC1FFAR1S1PR1
SCHEMBL23578053 0.93 SPHK1 (0.38) SPHK1HDAC8HDAC2HDAC1FFAR1
SCHEMBL25801802 0.92 SPHK1 (0.46) SPHK1SPHK2S1PR2S1PR1S1PR3
SCHEMBL25801780 0.91 SPHK1 (0.43) SPHK1FFAR1SPHK2S1PR2S1PR1
SCHEMBL23588176 0.86 S1PR4 (0.40) HDAC8HDAC2HDAC1FFAR1S1PR1
SCHEMBL25801989 0.85 SPHK1 (0.40) SPHK1FFAR1MITFTP53NCOA3
SCHEMBL25801993 0.84 RAB9A (0.37) HDAC8HDAC2HDAC1TP53ALDH1A1
SCHEMBL25802138 0.84 LMNA (0.48) HDAC8HDAC2ALDH1A1TSHRLMNA
SCHEMBL25802076 0.84 RAB9A (0.38) HDAC8HDAC2HDAC1TP53ALDH1A1
SCHEMBL23578218 0.84 SPHK1 (0.47) SPHK1FFAR1SPHK2S1PR2S1PR1

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 1 patent. 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

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 3875/4885HDAC8 2705/4885HDAC2 1538/4885

“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.