SCHEMBL25801981

SCHEMBL25801981

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
S1PR3 Q99500 1/20 0.39
FFAR1 O14842 4/20 0.38
TP53 P04637 2/20 0.37
MITF O75030 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 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
SCHEMBL25801987 0.94 SPHK1 (0.38) S1PR1S1PR3FFAR1TP53MITF
SCHEMBL23588176 0.92 S1PR4 (0.40) S1PR4S1PR1S1PR5S1PR3FFAR1
SCHEMBL25801780 0.90 SPHK1 (0.43) S1PR4S1PR1S1PR5S1PR3FFAR1
SCHEMBL25801802 0.89 SPHK1 (0.46) S1PR1S1PR5S1PR3
SCHEMBL25801989 0.87 SPHK1 (0.40) FFAR1TP53MITFNCOA3RAB9A
SCHEMBL23578053 0.86 SPHK1 (0.38) S1PR1S1PR3FFAR1TP53MITF
SCHEMBL25802138 0.86 LMNA (0.48) ALDH1A1CYP1A2TSHRCYP2C19LMNA
SCHEMBL25802076 0.86 RAB9A (0.38) TP53HDAC4HDAC6RAB9ANPC1
SCHEMBL25801976 0.86 CYP1A2 (0.39) TP53MITFNCOA3HDAC4HDAC6
SCHEMBL25802128 0.86 LMNA (0.39) TP53MITFNCOA3RAB9ANPC1

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 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.