SCHEMBL25801858

SCHEMBL25801858

CCCCCCCCc1nnc(CC(C(=O)OC(C)(C)C)P(C)(=O)OCC)s1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
DNMT1 P26358 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLS O94925 2/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL25805081 0.90 NPSR1 (0.44) NPSR1CYP2C9ALDH1A1RAB9APOLB
SCHEMBL25801920 0.84 FDPS (0.36) NPSR1
SCHEMBL25801861 0.82 BCHE (0.35)
SCHEMBL25801743 0.81 LMNA (0.41) NPSR1ALDH1A1POLBLMNATSHR
SCHEMBL25801747 0.76 S1PR2 (0.32) LMNATSHR
SCHEMBL25801754 0.76 SRC (0.34)
SCHEMBL25801915 0.76 SRC (0.34)
SCHEMBL25801737 0.76 SRC (0.34)
SCHEMBL25801926 0.76 SRC (0.34)
SCHEMBL25801937 0.76 MEN1 (0.33) LMNATSHR

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 NPSR1 3989/4885CYP2C9 2299/4885ALDH1A1 134/4885

“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.