SCHEMBL4437669

SCHEMBL4437669

O=C(c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.66
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
RAF1 P04049 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX5 P09917 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
SCHEMBL8028091 0.93 VCAM1 (0.60) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL12021898 0.81 TSHR (0.64) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL30800956 0.81 MAPT (0.45) VCAM1ALDH1A1MAPTLMNA
SCHEMBL10473820 0.81 VCAM1 (0.54) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL20381706 0.81 VCAM1 (0.56) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL22758145 0.81 VCAM1 (0.56) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL20381720 0.81 VCAM1 (0.56) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL29572616 0.80 VCAM1 (0.56) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL6260991 0.80 VCAM1 (0.52) VCAM1ALDH1A1MAPTLMNARAF1
SCHEMBL1258621 0.80 VCAM1 (1.00) VCAM1ALDH1A1MAPTLMNARAF1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 US disclosed
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 US disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 US disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 US disclosed
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-10-04 US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 US disclosed
WO-2012139888-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 WO disclosed
WO-2012139888-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 WO disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
US-4596872-A Imidazo[1,2-a]pyridines, and process for their preparation SCHERING A.G. (DE) 1986-06-24 US 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 (8 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-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA VCAM1 352/4885ALDH1A1 641/4885MAPT 3036/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA VCAM1 352/4885ALDH1A1 641/4885MAPT 3036/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA VCAM1 352/4885ALDH1A1 641/4885MAPT 3036/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 VCAM1 1149/4885ALDH1A1 2176/4885MAPT 4106/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA VCAM1 352/4885ALDH1A1 641/4885MAPT 3036/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA VCAM1 352/4885ALDH1A1 641/4885MAPT 3036/4885
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA VCAM1 352/4885ALDH1A1 641/4885MAPT 3036/4885
US-20180282262-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA VCAM1 352/4885ALDH1A1 641/4885MAPT 3036/4885

“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.