SCHEMBL417599

SCHEMBL417599

CCOC(=O)CCCSc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
RECQL P46063 1/20 0.53
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 1/20 0.41

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
SCHEMBL8864735 0.84 HPGD (0.58) HPGDRECQLMAPK1L3MBTL1ALDH1A1
SCHEMBL417362 0.82 ALDH1A1 (0.57) HPGDRECQLALDH1A1LMNAKDM4E
SCHEMBL415480 0.81 ALDH1A1 (0.55) HPGDMAPK1POLBL3MBTL1ALDH1A1
SCHEMBL5726108 0.80 HPGD (0.57) HPGDRECQLMAPK1ALDH1A1LMNA
SCHEMBL418873 0.78 CYP1A2 (0.46) MAPK1POLBL3MBTL1ALDH1A1LMNA
SCHEMBL11615589 0.78 HTT (0.57) MAPK1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL26085790 0.78 NPC1 (0.49) L3MBTL1ALDH1A1LMNANPC1RAB9A
SCHEMBL15228885 0.78 SMN1; SMN2 (0.47) HPGDMAPK1ALDH1A1LMNANPC1
SCHEMBL11618490 0.78 MAPT (0.50) L3MBTL1ALDH1A1LMNANPC1RAB9A
SCHEMBL7078818 0.77 ALDH1A1 (0.54) HPGDALDH1A1LMNAHSD17B10NPC1

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 HPGD 2716/4885RECQL 3162/4885MAPK1 1712/4885

“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.