Sugi Predict

Sugi Predict / Compounds / SCHEMBL417755

SCHEMBL417755

SCHEMBL417755

COc1ccc2c(c1)N(C(=O)CCCSc1ccc(F)cc1C(=O)O)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 1/20 0.44
▸ MAPT P10636 8/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ XIAP P98170 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NOTUM Q6P988 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 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
SCHEMBL418447 0.90 BIRC2 (0.41) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2484791 0.86 MAPT (0.41) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2486415 0.84 MAPT (0.39) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2486917 0.83 MAPT (0.39) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL413454 0.82 MAPT (0.50) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL414287 0.82 BIRC2 (0.38) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL418454 0.81 MAPT (0.48) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10283935 0.81 MAPT (0.53) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL415731 0.80 MAPT (0.52) BIRC2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL417533 0.80 MAPT (0.50) BIRC2MAPTRAB9ANPC1SMN1; SMN2

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 BIRC2 941/4885MAPT 3216/4885RAB9A 646/4885

“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.