SCHEMBL1246411

SCHEMBL1246411

Cc1onc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
PTPN1 P18031 1/20 0.47
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL2470754 0.87 RAB9A (0.54) KMT2AMEN1GAAHTTKDM4E
SCHEMBL3862966 0.87 KMT2A (0.59) KMT2AMEN1GAAHTTKDM4E
SCHEMBL12310938 0.85 KMT2A (0.58) KMT2AMEN1GAAHTTKDM4E
SCHEMBL7769050 0.85 KMT2A (0.58) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL316093 0.85 KMT2A (0.76) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL457706 0.84 GPBAR1 (0.59) KMT2AMEN1GAAHTTKDM4E
SCHEMBL3548012 0.84 GPBAR1 (0.66) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL7771555 0.84 KMT2A (0.60) KMT2AMEN1GAAHTTALDH1A1
Hydrochloric Acid SCHEMBL4846563 0.83 KMT2A (0.73) KMT2AMEN1GAAHTTALDH1A1
SCHEMBL2472330 0.83 RAB9A (0.53) KMT2AMEN1GAAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
EP-3820867-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS Fondazione Istituto Italiano di Tecnologia (IT) 2021-05-19 EP disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 WO disclosed
EP-2462128-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-09-21 EP disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8592402-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2013-11-26 US disclosed
US-8541587-B2 Lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541587-B2 Lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
WO-2012138797-A1 3- OR 5 - BI PHENYL - 4 - YLISOXAZOLE - BASED COMPOUNDS USEFUL FOR THE TREATMENT OF FIBROSIS, PAIN, CANCER AND RESPIRATORY, ALLERGIC, NERVOUS SYSTEM OR CARDIOVASCULAR DISORDERS AMIRA PHARMACEUTICALS, INC. (US) 2012-10-11 WO disclosed
US-20120258987-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258987-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2012-08-02 US disclosed
EP-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 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 (5 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-20120258987-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KMT2A 2257/4885MEN1 2551/4885GAA 1148/4885
US-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KMT2A 2185/4885MEN1 2286/4885GAA 1192/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KMT2A 2450/4885MEN1 1384/4885GAA 957/4885
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 KMT2A 4825/4885MEN1 4564/4885GAA 660/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 KMT2A 4825/4885MEN1 4564/4885GAA 660/4885

“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.