SCHEMBL419443

SCHEMBL419443

COc1ccc(SCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 4/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALOX5 P09917 2/20 0.51
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL416207 0.89 MAPK1 (0.60) ALDH1A1LMNANPC1MAPK1ALOX5
SCHEMBL418472 0.84 ALDH1A1 (0.50) ALDH1A1LMNATSHRNPC1MAPK1
SCHEMBL416693 0.84 TSHR (0.73) ALDH1A1LMNATSHRNPC1MAPK1
SCHEMBL2482708 0.84 TSHR (0.54) ALDH1A1LMNATSHRNPC1MAPK1
SCHEMBL6121660 0.79 TSHR (0.65) ALDH1A1LMNATSHRNPC1MAPK1
SCHEMBL6122244 0.79 TSHR (0.65) ALDH1A1LMNATSHRNPC1MAPK1
SCHEMBL412372 0.78 ALDH1A1 (0.53) ALDH1A1LMNANPC1MAPK1ALOX5
Acetic Acid Methyl Ester SCHEMBL10581477 0.78 ALDH1A1 (0.57) ALDH1A1LMNANPC1ALOX5MEN1
SCHEMBL3130467 0.78 ALDH1A1 (0.64) ALDH1A1LMNANPC1HTTNPSR1
SCHEMBL6122069 0.78 TSHR (0.63) ALDH1A1LMNATSHRNPC1MAPK1

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 6 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 claimed
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 claimed
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 claimed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP claimed
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-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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 ALDH1A1 455/4885LMNA 3529/4885TSHR 4221/4885

“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.