SCHEMBL23914490

SCHEMBL23914490

CS(C)(C)CCOCn1nc(CC(=O)O)c(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
S1PR2 O95136 2/20 0.41
AKR1B1 P15121 8/20 0.41
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
SLC16A3 O15427 1/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL23914498 0.89 KDM4E (0.41) MAPTS1PR2HSD17B10KMT2ATSHR
SCHEMBL23914489 0.85 SLC16A3 (0.33) MAPTHSD17B10KMT2AALOX15TSHR
SCHEMBL23908911 0.85 MAPT (0.45) MAPTS1PR2AKR1B1POLBHSD17B10
SCHEMBL23915534 0.85 PTGDR2 (0.39) AKR1B1PTGDR2
SCHEMBL23914582 0.84 MAPT (0.44) MAPTS1PR2AKR1B1POLBHSD17B10
SCHEMBL23915456 0.84 AKR1B1 (0.38) MAPTS1PR2AKR1B1PTGDR2CMA1
SCHEMBL23915295 0.83 CNKSR1 (0.35) SLC16A3
SCHEMBL23915526 0.80 S1PR2 (0.46) S1PR2HSD17B10KMT2AALOX15PTGDR2
SCHEMBL23914832 0.78 ALDH1A1 (0.36) MAPTHSD17B10KMT2ATSHR
SCHEMBL23660727 0.74 GLS (0.33) POLBKMT2A

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 MAPT 4876/4885S1PR2 3/4885AKR1B1 124/4885

“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.