Sugi Predict

Sugi Predict / Compounds / SCHEMBL1676901

SCHEMBL1676901

SCHEMBL1676901

FC(F)(F)c1ccc(CCc2nc(-c3ccc(Cl)cc3Cl)c[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ DAO P14920 3/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ TOP2A P11388 2/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ SNCA P37840 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ CXCR2 P25025 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL1480745 0.81 CXCR2 (0.49) DPP4CNR1DAOCNR2ALDH1A1
SCHEMBL1676495 0.79 LMNA (0.42) DPP4SNCAL3MBTL1
SCHEMBL1677019 0.77 CXCR2 (0.38) HSP90AA1HSP90AB1CXCR2NPC1CYP1A2
SCHEMBL31376139 0.77 ALPL (0.43) HSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL2867224 0.77 CXCR2 (0.43) HSP90AA1HSP90AB1CXCR2NPC1RAB9A
SCHEMBL31305442 0.77 CXCR2 (0.43) HSP90AA1HSP90AB1CXCR2NPC1RAB9A
SCHEMBL1676226 0.74 CXCR2 (0.47) DPP4CNR1CNR2HSP90AA1HSP90AB1
SCHEMBL3291474 0.74 HSP90AA1 (0.37) DPP4CNR1CNR2HSP90AA1HSP90AB1
SCHEMBL28812276 0.74 TUBB4A (0.46) EGFRALDH1A1CXCR2NPC1CYP1A2
SCHEMBL28406342 0.74 HSP90AA1 (0.40) HSP90AA1HSP90AB1NPC1RAB9ASMN1; 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-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 EGFR 2135/4885DPP4 115/4885CNR1 3344/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE EGFR 2135/4885DPP4 115/4885CNR1 3344/4885

“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.