SCHEMBL787527

SCHEMBL787527

CC(COc1ccccc1)(NC(=O)c1ccnc2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.46
NSD2 O96028 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
FAP Q12884 7/20 0.41
CTSB P07858 1/20 0.40
SSTR4 P31391 1/20 0.40
KDM4A O75164 1/20 0.40
TACR3 P29371 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
CCR1 P32246 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
SCHEMBL787528 0.74 KDM4E (0.45) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5271311 0.73 NSD2 (0.52) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5309684 0.73 ALPL (0.44) CXCR2SSTR4
SCHEMBL14975398 0.72 NPC1 (0.46)
SCHEMBL804472 0.71 CYP3A4 (0.50) NR2E1
SCHEMBL24928102 0.71 FAP (0.63) NSD2FAP
SCHEMBL5603305 0.71 NSD2 (0.56) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8573837 0.71 NSD2 (0.56) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28834556 0.70 HDAC3 (0.58) NSD2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12903049 0.70 NSD2 (0.59) NSD2HDAC3HDAC4HDAC1HDAC7

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 CXCR2 4763/4885NSD2 4733/4885HDAC3 2929/4885
US-20120071502-A1 Novel phenoxyisobutyric acid compounds and methods for synthesis AGER, BPGM, PDXK CXCR2 4734/4885NSD2 4811/4885HDAC3 2684/4885

“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.