Sugi Predict

Sugi Predict / Compounds / SCHEMBL672735

SCHEMBL672735

SCHEMBL672735

O=C(N[C@H]1CC[C@H](C(F)(F)F)CC1)c1cc([N+](=O)[O-])c(Cl)nc1OCCF

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGES O14684 5/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ IDH1 O75874 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
SCHEMBL693051 1.00 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2CNR2NPC1
SCHEMBL11980754 0.94 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2CNR2NPC1
SCHEMBL672301 0.92 ALDH1A1 (0.43) ALDH1A1POLBCNR2PTGESHPGDS
SCHEMBL671873 0.92 ALDH1A1 (0.43) ALDH1A1POLBCNR2PTGESHPGDS
SCHEMBL11908168 0.90 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2CNR2CNR1
SCHEMBL673728 0.90 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2CNR2CNR1
SCHEMBL11909555 0.88 ALDH1A1 (0.38) ALDH1A1POLBCNR2CNR1PTGES
SCHEMBL11909557 0.88 ALDH1A1 (0.38) ALDH1A1POLBCNR2CNR1PTGES
SCHEMBL671847 0.88 PTGES (0.43) ALDH1A1POLBCNR2CNR1PTGES
SCHEMBL673073 0.88 PTGES (0.43) ALDH1A1POLBCNR2CNR1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
EP-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 — — EP disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 — — US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 — — US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 — — US disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 — — 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-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES ALDH1A1 173/4885POLB 2198/4885SMN1; SMN2 3979/4885

“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.