SCHEMBL787528

SCHEMBL787528

CC(C)(NC(=O)c1ccnc2ccccc12)C(=O)O.c1cc2ccc1o2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.43
SSTR4 P31391 4/20 0.42
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
FAP Q12884 5/20 0.41
TACR3 P29371 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
PREP P48147 3/20 0.40
NR2E1 Q9Y466 1/20 0.40
CTSB P07858 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL5271311 0.74 NSD2 (0.52) NSD2FAPPREPNR2E1HDAC3
SCHEMBL787527 0.74 CXCR2 (0.46) NSD2SSTR4FAPTACR3NR2E1
SCHEMBL8573837 0.72 NSD2 (0.56) NSD2FAPPREPNR2E1HDAC3
Hydrochloric Acid SCHEMBL28349289 0.71 NSD2 (0.55) NSD2FAPPREPNR2E1HDAC3
SCHEMBL9399457 0.71 PTPN1 (0.51) KDM4EHDAC3HDAC1HDAC7HDAC2
SCHEMBL25753495 0.71 NSD2 (0.58) KDM4ENSD2SSTR4HDAC6
SCHEMBL379808 0.70 CYP3A4 (0.60) NSD2NR2E1
SCHEMBL8240231 0.70 NR2E1 (0.44) KDM4ENSD2SSTR4FAPNR2E1
SCHEMBL5603305 0.70 NSD2 (0.56) KDM4ENSD2FAPPREPHDAC3
SCHEMBL28834556 0.69 HDAC3 (0.58) KDM4ENSD2FAPPREPNR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040553-B2 Phenoxyisobutyric acid compounds and method of synthesis Cell Viable Corporation (US) 2015-05-26 US disclosed
US-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS LALEZARI IRAJ (US) 2014-11-27 US disclosed
EP-2616430-A2 NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS Cell Viable Corporation (US) 2013-07-24 EP disclosed
WO-2012050623-A2 NOVEL PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHODS FOR SYNTHESIS Cell Viable Corporation (US) 2012-04-19 WO disclosed
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis Cell Viable Corporation (US) 2012-03-22 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 (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-20140350045-A1 PHENOXYISOBUTYRIC ACID COMPOUNDS AND METHOD OF SYNTHESIS AGER, BPGM, PDXK KDM4E 350/4885NSD2 4733/4885SSTR4 623/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK KDM4E 363/4885NSD2 4811/4885SSTR4 761/4885

“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.