Sugi Predict

Sugi Predict / Compounds / SCHEMBL413982

SCHEMBL413982

SCHEMBL413982

CCCC1(C(O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 2/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ HTR6 P50406 4/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ ACLY P53396 2/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PPARD Q03181 1/20 0.34

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
SCHEMBL1972137 0.91 PTGDR2 (0.40) PTGDRPTGDR2NOD2NOD1RECQL
SCHEMBL442516 0.86 NR1H2 (0.40) PTGDRPTGDR2TSHRNOD2NOD1
SCHEMBL415416 0.80 NOD2 (0.45) PTGDRPTGDR2TSHRNOD2NOD1
SCHEMBL17707489 0.72 NOD2 (0.44) PTGDRPTGDR2NOD2NOD1HTR6
SCHEMBL30270458 0.69 PTGDR2 (0.49) PTGDRPTGDR2TSHRNOD2NOD1
SCHEMBL26213705 0.69 PTGDR2 (0.49) PTGDRPTGDR2TSHRNOD2NOD1
SCHEMBL3560737 0.69 PTGDR2 (0.53) PTGDRPTGDR2NOD2NOD1RECQL
SCHEMBL30270460 0.69 PTGDR2 (0.51) PTGDRPTGDR2TSHRNOD2NOD1
SCHEMBL26213697 0.69 PTGDR2 (0.51) PTGDRPTGDR2TSHRNOD2NOD1
SCHEMBL31058814 0.68 PTGDR2 (0.48) PTGDRPTGDR2TSHRNOD2NOD1

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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 — — US disclosed
US-8084623-B2 heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents ROCHE PALO ALTO LLC (US) 2011-12-27 — — US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 — — US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 — — US 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 (3 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR PTGDR 607/4885PTGDR2 1074/4885TSHR 467/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR PTGDR 607/4885PTGDR2 1074/4885TSHR 467/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C PTGDR 212/4885PTGDR2 391/4885TSHR 545/4885

“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.