SCHEMBL15475907

SCHEMBL15475907

Cc1ccc(O)c(B(O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
PDE10A Q9Y233 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 1/20 0.30
HPGD P15428 2/20 0.30
SCN5A Q14524 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
G6PD P11413 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL15609444 0.80 ACHE (0.32) HPGDCA2LPLLIPG
SCHEMBL30154900 0.77 CA3 (0.36) KDM4E
SCHEMBL18128452 0.77 CA3 (0.36) KDM4E
SCHEMBL3318129 0.77 HTR2A (0.36) CYP3A4
SCHEMBL29957677 0.77 HTR2A (0.36) CYP3A4
SCHEMBL29661842 0.74 CYP3A4 (0.39) TDP1TSHRHPGDALDH1A1CYP1A2
SCHEMBL22866473 0.74 CYP3A4 (0.39) TDP1TSHRHPGDALDH1A1CYP1A2
SCHEMBL1679453 0.74 TP53 (0.40) TP53TDP1TSHRCASP1PDE10A
SCHEMBL29956362 0.74 ENPP2 (0.39) KMT2AKDM4EMAPTPKMMAPK1
SCHEMBL15476241 0.74 ENPP2 (0.39) KMT2AKDM4EMAPTPKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970274-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-03-01 EP disclosed
EP-2888266-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-11 EP disclosed
EP-2888266-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-11 EP disclosed
US-9527842-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2016-12-27 US disclosed
US-20160024077-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-28 US disclosed
EP-2970274-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
EP-2888266-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2015-07-01 EP disclosed
US-8906929-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-8906929-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
US-8906929-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-09 US disclosed
WO-2014159959-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-02-20 US disclosed
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-02-20 US disclosed
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-02-20 US disclosed
WO-2014028384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-20 WO disclosed
WO-2014028384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-20 WO disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 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 (3 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-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 TP53 1137/4885TDP1 1232/4885TSHR 4185/4885
US-20160024077-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS TP53 1514/4885TDP1 422/4885TSHR 4838/4885
US-20140051692-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS TP53 1355/4885TDP1 194/4885TSHR 4837/4885

“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.