SCHEMBL7947585

SCHEMBL7947585

O=C(CCC(C(=O)Nc1ccc(Oc2ccccc2)cc1)n1sc2ccccc2c1=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.41
▸ CASP3 P42574 4/20 0.40
▸ LTA4H P09960 7/20 0.39
▸ RECQL P46063 1/20 0.39
▸ G6PD P11413 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CASP7 P55210 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 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
SCHEMBL7945993 0.85 KMT2A (0.49) S1PR1CASP3RECQLG6PDMAPT
SCHEMBL15195144 0.84 S1PR1 (0.44) S1PR1CASP3LTA4HRECQLG6PD
SCHEMBL7945044 0.77 RAB9A (0.52) CASP3G6PDMAPTKMT2ALMNA
SCHEMBL7950445 0.75 MAPT (0.60) MAPTLMNATP53SMN1; SMN2
SCHEMBL7940591 0.72 GAA (0.46) CASP3MAPTKMT2ALMNASMN1; SMN2
SCHEMBL20253483 0.69 HDAC8 (0.50) S1PR1LTA4HKMT2A
SCHEMBL12230833 0.68 CASP3 (0.53) CASP3G6PDMAPTKMT2ALMNA
SCHEMBL7407960 0.67 LTA4H (0.56) LTA4H
SCHEMBL23881677 0.62 F2 (0.49) SMN1; SMN2
SCHEMBL1374371 0.62 S1PR1 (0.68) S1PR1LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 — — US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 — — US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 — — WO 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 S1PR1 994/4885CASP3 1969/4885LTA4H 2454/4885

“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.

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