SCHEMBL4084024

SCHEMBL4084024

Nc1ccc2cc[nH]c2c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPRB P23467 1/20 0.55
PTPRE P23469 1/20 0.55
PTPN6 P29350 1/20 0.55
KEAP1 Q14145 1/20 0.49
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ENPP2 Q13822 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDPK1 O15530 1/20 0.43
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
TNF P01375 1/20 0.35
RIPK1 Q13546 1/20 0.35
BACE1 P56817 1/20 0.35
BCHE P06276 2/20 0.34
KMT2A Q03164 2/20 0.33

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
SCHEMBL31438296 0.81 PTPRC (0.58) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL4080201 0.80 PTPRC (0.43) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL5188581 0.78 PTPRC (0.55) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL394522 0.76 MAOA (0.45) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL3822164 0.72 KMT2A (0.48) KEAP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31348929 0.72 KMT2A (0.48) KEAP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4083790 0.71 CHEK1 (0.46) KDM4EALDH1A1HPGDHSD17B10PDPK1
SCHEMBL6318130 0.71 PTPN1 (1.00) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL13601830 0.69 PTPRC (0.61) PTPRCPTPN2PTPN1PTPRBPTPRE
SCHEMBL917801 0.68 TNF (0.39) PTPRCPTPN2PTPN1PTPRBPTPRE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103641765-B ATP-combines the adjusting control agent of cassette transporters 沃泰克斯药物股份有限公司 2016-08-17 CN disclosed
CN-105693701-A MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS 弗特克斯药品有限公司 2016-06-22 CN disclosed
CN-104788328-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2015-07-22 CN disclosed
CN-101891680-B Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-29 CN disclosed
CN-103641765-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2014-03-19 CN disclosed
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
US-8658801-B2 Pesticides containing a bicyclic bisamide structure SYNGENTA CROP PROTECTION, LLC (US) 2014-02-25 US disclosed
CN-101426779-B Pesticide containing bicyclic bisamide structure SYNGENTA PARTICIPATIONS AG 2013-08-21 CN disclosed
CN-101006076-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-09-29 CN disclosed
WO-2010054138-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-14 WO disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
EP-1984354-B1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
CN-101426779-A Pesticide containing bicyclic bisamide structure SYNGENTA PARTICIPATIONS AG (CH) 2009-05-06 CN disclosed
EP-1984354-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE Syngeta Participations AG (CH) 2008-10-29 EP disclosed
WO-2007093402-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 WO disclosed
WO-2007093402-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 WO disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN 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 (1 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-20090298816-A1 PESTICIDES CONTAINING A BICYCLIC BISAMIDE STRUCTURE DDT, ACHE, GAP43 PTPRC 3176/4885PTPN2 2058/4885PTPN1 1393/4885

“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.