SCHEMBL25801993

SCHEMBL25801993

CCCCC(F)(F)c1ccc(-c2noc(CC(C(=O)OC(C)(C)C)P(C)(=O)OCC)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KLF5 Q13887 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC4 P56524 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAPK1 P28482 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
SCHEMBL25802076 0.95 RAB9A (0.38) RAB9ANPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL23588345 0.92 RAB9A (0.38) RAB9ANPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL25801976 0.91 CYP1A2 (0.39) RAB9ANPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL25807039 0.87 RAB9A (0.39) RAB9ANPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL25802061 0.87 MEN1 (0.36) LMNA
SCHEMBL25801943 0.86 ACACB (0.45) RAB9ANPC1CYP1A2CYP2C19TSHR
SCHEMBL25801780 0.86 SPHK1 (0.43) RAB9ANPC1ALDH1A1TSHRTP53
SCHEMBL25801802 0.85 SPHK1 (0.46)
SCHEMBL25802138 0.85 LMNA (0.48) CYP1A2CYP2C19ALDH1A1TSHRSMN1; SMN2
SCHEMBL25801981 0.85 S1PR4 (0.39) RAB9ANPC1CYP1A2CYP2C19ALDH1A1

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 RAB9A 1795/4885NPC1 4019/4885CYP1A2 820/4885

“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.