SCHEMBL17024092

SCHEMBL17024092

CCCCCC(CCC)SOSC(CCC)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
LMNA P02545 1/20 0.34
DNM1 Q05193 2/20 0.33
SMPD1 P17405 3/20 0.32
FDPS P14324 4/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
GPR84 Q9NQS5 2/20 0.31

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
SCHEMBL27275128 0.98 LMNA (0.38) OPRM1LMNADNM1SMPD1FDPS
SCHEMBL27273733 0.93 LMNA (0.41) OPRM1LMNADNM1SMPD1FDPS
SCHEMBL28151786 0.93 DNM1 (0.35) DNM1FDPSTSHR
SCHEMBL27275500 0.86 OPRM1 (0.37) OPRM1LMNADNM1SMPD1FDPS
SCHEMBL28294988 0.84 LMNA (0.38) OPRM1LMNADNM1SMPD1FDPS
SCHEMBL28003999 0.84 LMNA (0.38) OPRM1LMNADNM1SMPD1FDPS
SCHEMBL27584591 0.83 TSHR (0.46) OPRM1LMNADNM1SMPD1FDPS
SCHEMBL27922137 0.80 LMNA (0.50) LMNASMPD1FDPSTSHRGPR84
SCHEMBL27290323 0.79 OPRM1 (0.37) OPRM1LMNADNM1SMPD1TSHR
SCHEMBL10775702 0.77 OPRM1 (0.42) OPRM1LMNADNM1FDPSTSHR

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-9481645-B2 Composition, synthesis, and use of a new class of isonitriles DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2016-11-01 US disclosed
US-20150239835-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 US disclosed
WO-2015127226-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 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-20150239835-A1 COMPOSITION, SYNTHESIS, AND USE OF A NEW CLASS OF ISONITRILES CYP3A4, UGT1A4, INTS9 OPRM1 1328/4885LMNA 3221/4885DNM1 3232/4885

“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.