Sugi Predict

Sugi Predict / Compounds / SCHEMBL9966558

SCHEMBL9966558

SCHEMBL9966558

CC(C)(C)C(C(=O)Cl)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ FFAR2 O15552 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL28912756 0.82 ESR1 (0.42) CYP1A2LMNAFFAR2ATML3MBTL1
SCHEMBL9855864 0.82 FFAR2 (0.49) CYP1A2MEN1KMT2ALMNAFFAR2
SCHEMBL9966433 0.82 CYP1A2 (0.46) CYP1A2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17892074 0.82 ALOX5 (0.49) CYP1A2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17892072 0.82 ALOX5 (0.49) CYP1A2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17892042 0.82 CYP1A2 (0.46) CYP1A2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8870520 0.80 L3MBTL1 (0.58) MEN1KMT2ALMNAFFAR2ATM
SCHEMBL21612878 0.77 ATM (0.46) CYP1A2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9966551 0.74 CYP1A2 (0.46) CYP1A2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2291864 0.74 CYP1A2 (0.48) CYP1A2SMN1; SMN2LMNAPOLBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 — — WO disclosed
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 — — EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 — — US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S CYP1A2 169/4885MEN1 2410/4885KMT2A 1697/4885

“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.