SCHEMBL2228040

SCHEMBL2228040

CCc1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
POLB P06746 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
TTR P02766 1/20 0.43
BCL2 P10415 1/20 0.43
TPMT P51580 3/20 0.41
DAO P14920 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL334347 0.87 RXRA (0.64) ALDH1A1RXRARXRBBCL2TPMT
SCHEMBL1353367 0.87 ALDH1A1 (0.60) ALDH1A1RXRARXRBBCL2TPMT
SCHEMBL27912534 0.84 POLB (0.45) ALDH1A1POLBHCAR2TTRTPMT
SCHEMBL3355223 0.83 POLB (0.44) ALDH1A1RXRARXRBPOLBHCAR2
Acetic Acid SCHEMBL27848181 0.83 RXRA (0.46) ALDH1A1RXRARXRBBCL2SMN1; SMN2
SCHEMBL24162333 0.82 MAPT (0.40) ALDH1A1RXRARXRBSMN1; SMN2MAPT
SCHEMBL3070777 0.82 POLB (0.42) ALDH1A1RXRARXRBPOLBHCAR2
SCHEMBL5225199 0.82 FOLH1 (0.53) ALDH1A1POLBHCAR2TTRTPMT
SCHEMBL16478248 0.82 POLB (0.42) ALDH1A1RXRARXRBPOLBHCAR2
SCHEMBL19128461 0.82 LOXL2 (0.43) ALDH1A1POLBHCAR2TTRTPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416956-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER The Institute of Cancer Research : The Royal Cancer Hospital (GB) 2018-12-26 EP disclosed
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 WO disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885RXRA 11/4885RXRB 53/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885RXRA 11/4885RXRB 53/4885

“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.