SCHEMBL9966433

SCHEMBL9966433

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LDHA P00338 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
MME P08473 1/20 0.41
FPR2 P25090 2/20 0.40
FPR1 P21462 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR2 O15552 1/20 0.38
CNR1 P21554 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL17892042 1.00 CYP1A2 (0.46) CYP1A2ATML3MBTL1LDHAKMT2A
SCHEMBL17892074 0.84 ALOX5 (0.49) CYP1A2ATML3MBTL1KMT2AMEN1
SCHEMBL17892072 0.84 ALOX5 (0.49) CYP1A2ATML3MBTL1KMT2AMEN1
SCHEMBL9966558 0.82 CYP1A2 (0.44) CYP1A2ATML3MBTL1KMT2AMEN1
SCHEMBL4630315 0.82 SRC (0.46) CYP1A2ATML3MBTL1KMT2ALMNA
SCHEMBL517908 0.82 ATM (0.44) ATML3MBTL1SMN1; SMN2LMNAPOLB
SCHEMBL16682784 0.82 SRC (0.46) CYP1A2ATML3MBTL1KMT2ALMNA
SCHEMBL66018 0.81 L3MBTL1 (0.61) ATML3MBTL1KMT2ALMNACYP2D6
SCHEMBL17357501 0.81 L3MBTL1 (0.61) ATML3MBTL1KMT2ALMNACYP2D6
SCHEMBL2431670 0.80 FFAR2 (0.49) CYP1A2ATML3MBTL1KMT2AMEN1

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 169/4885ATM 4584/4885L3MBTL1 739/4885

“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.