SCHEMBL23914868

SCHEMBL23914868

N#Cc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccc(Br)cc34)nc2cc1OCC(F)F

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.66
AKR1B1 P15121 7/20 0.36
NLRP3 Q96P20 1/20 0.34
TSHR P16473 1/20 0.34
CMA1 P23946 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL23909089 0.92 S1PR2 (0.78) S1PR2AKR1B1TSHRCMA1CYP1A2
SCHEMBL23966552 0.88 S1PR2 (0.84) S1PR2AKR1B1NLRP3TSHR
SCHEMBL23908861 0.88 S1PR2 (0.76) S1PR2AKR1B1TSHRCMA1CYP1A2
SCHEMBL23915343 0.84 S1PR2 (0.58) S1PR2AKR1B1
SCHEMBL23914638 0.83 S1PR2 (0.80) S1PR2TSHRCMA1
SCHEMBL23908752 0.83 S1PR2 (0.65) S1PR2AKR1B1MEN1KMT2A
SCHEMBL23908858 0.82 S1PR2 (0.75) S1PR2TSHRCMA1
SCHEMBL23966848 0.81 S1PR2 (0.72) S1PR2NLRP3TSHR
SCHEMBL23915473 0.81 S1PR2 (0.67) S1PR2AKR1B1TSHRCMA1
SCHEMBL23914679 0.81 S1PR2 (0.56) S1PR2AKR1B1

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885AKR1B1 124/4885NLRP3 2354/4885

“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.