Sugi Predict

Sugi Predict / Compounds / SCHEMBL1676161

SCHEMBL1676161

SCHEMBL1676161

O=C(O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 1/20 0.45
▸ GCGR P47871 5/20 0.44
▸ GIPR P48546 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ ALKBH1 Q13686 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ SSTR5 P35346 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL1676042 0.94 EGLN1 (0.42) MARS1GCGRGIPRKDM4ENPC1
SCHEMBL1676480 0.92 MRGPRX4 (0.43) MARS1GCGRGIPRNPC1RAB9A
SCHEMBL1676531 0.92 PTGES (0.45) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL6530694 0.92 MARS1 (0.46) MARS1GCGRGIPRKDM4ENPC1
SCHEMBL1481106 0.92 MARS1 (0.46) MARS1GCGRGIPRKDM4ENPC1
SCHEMBL1676974 0.90 PTGES (0.43) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676210 0.89 NPC1 (0.46) MARS1KDM4ENPC1CRHBPRAB9A
SCHEMBL1676229 0.88 NR4A2 (0.46) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676521 0.86 KDM4E (0.43) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676261 0.85 KDM4E (0.39) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 — — US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 — — EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 — — WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 — — 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 MARS1 3299/4885GCGR 610/4885GIPR 254/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MARS1 3299/4885GCGR 610/4885GIPR 254/4885

“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.