SCHEMBL2225880

SCHEMBL2225880

CCc1cc(C#N)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.50
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PLA2G2A P14555 1/20 0.44
CYP2A6 P11509 1/20 0.42
HPGD P15428 1/20 0.39
BCL2 P10415 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DAO P14920 1/20 0.37
GSK3B P49841 1/20 0.37
MEP1B Q16820 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL2225066 0.83 MRGPRX4 (0.45) MRGPRX4ALDH1A1CYP2A6LOXL2
SCHEMBL5222767 0.82 MRGPRX4 (0.50) MRGPRX4RXRAPLA2G2AMEN1KMT2A
SCHEMBL16952823 0.81 CYP2A6 (0.45) MRGPRX4RXRARXRBALDH1A1CYP2A6
SCHEMBL4651669 0.81 MRGPRX4 (0.56) MRGPRX4ALDH1A1PLA2G2AHPGDMEN1
SCHEMBL2170685 0.80 MRGPRX4 (0.49) MRGPRX4ALDH1A1PLA2G2AHPGDGSK3B
SCHEMBL334347 0.80 RXRA (0.64) RXRARXRBALDH1A1PLA2G2AHPGD
SCHEMBL2511327 0.80 MRGPRX4 (0.45) MRGPRX4ALDH1A1PLA2G2AHPGDGSK3B
SCHEMBL1353367 0.80 ALDH1A1 (0.60) RXRARXRBALDH1A1PLA2G2AHPGD
SCHEMBL4747236 0.78 CYP2C9 (0.55) MRGPRX4ALDH1A1PLA2G2AMEN1KMT2A
SCHEMBL2607125 0.78 CYP2A6 (0.58) ALDH1A1CYP2A6HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 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
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 MRGPRX4 95/4885RXRA 11/4885RXRB 53/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MRGPRX4 95/4885RXRA 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.