Sugi Predict

Sugi Predict / Compounds / SCHEMBL1676017

SCHEMBL1676017

SCHEMBL1676017

CC(C)S(=O)(=O)Nc1cccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADRB1 P08588 5/20 0.36
▸ ADRB3 P13945 5/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ PTGER4 P35408 3/20 0.34
▸ PTGDR Q13258 3/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PPARG P37231 1/20 0.32

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
SCHEMBL1676015 1.00 KDM4E (0.38) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1482005 0.92 P2RX7 (0.39) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1482001 0.92 P2RX7 (0.39) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676302 0.89 KDM4E (0.38) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676306 0.89 KDM4E (0.38) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL12736660 0.89 RAB9A (0.36) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676527 0.89 RAB9A (0.37) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676523 0.89 RAB9A (0.37) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1483845 0.89 PPARA (0.38) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1483842 0.89 PPARA (0.38) KDM4ENPC1CRHBPRAB9ACRHR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523903-A — — 2007-08-23 — — JP claimed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 — — EP claimed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 — — WO claimed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 — — US claimed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE KDM4E 733/4885NPC1 3228/4885CRHBP 4719/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE KDM4E 733/4885NPC1 3228/4885CRHBP 4719/4885

“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.