Sugi Predict

Sugi Predict / Compounds / SCHEMBL416131

SCHEMBL416131

SCHEMBL416131

CN(C(=O)CCC[S+]([O-])c1ccc(F)cc1)c1nccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.35
▸ MAOB P27338 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ RPLP1 P05386 1/20 0.33
▸ RPLP0 P05388 1/20 0.33
▸ RPS17 P08708 1/20 0.33
▸ RPSA P08865 1/20 0.33
▸ RPS2 P15880 1/20 0.33
▸ RPL35A P18077 1/20 0.33
▸ RPL7 P18124 1/20 0.33
▸ RPL17 P18621 1/20 0.33
▸ RPS4Y1 P22090 1/20 0.33
▸ RPS3 P23396 1/20 0.33
▸ RPS12 P25398 1/20 0.33
▸ RPL13 P26373 1/20 0.33
▸ RPL10 P27635 1/20 0.33
▸ RPL12 P30050 1/20 0.33

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
SCHEMBL414720 0.88 RPLP1 (0.44) CNR2KDM4EHSD17B10KCNH2RPLP1
SCHEMBL2486849 0.76 TP53 (0.32) KDM4EHSD17B10KCNH2RPLP1RPLP0
SCHEMBL418725 0.74 KCNH2 (0.45) KCNH2RPLP1RPLP0RPS17RPSA
SCHEMBL2990336 0.68 CNR2 (0.48) CNR2KCNH2MAPTTSHRLMNA
SCHEMBL411690 0.67 ALDH1A1 (0.46) HSD17B10KCNH2RPLP1RPLP0RPS17
SCHEMBL31098986 0.66 S100A4 (0.43) CNR2HSD17B10TRPA1MEN1KMT2A
SCHEMBL24910104 0.63 TRPA1 (0.40) KDM4ETRPA1MAPTMEN1KMT2A
SCHEMBL11439056 0.63 HDAC1 (0.53) LMNA
Hydrochloric Acid SCHEMBL11623946 0.62 IDO1 (0.38) LMNA
SCHEMBL13367553 0.61 CYP2A6 (0.55) CNR2KDM4EHSD17B10TRPA1MAPT

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 4 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
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 CNR2 2493/4885MAOB 873/4885GAA 184/4885

“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.