SCHEMBL4966768

SCHEMBL4966768

COc1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
SLC13A5 Q86YT5 1/20 0.48
GRM2 Q14416 1/20 0.48
HTR7 P34969 6/20 0.47
XDH P47989 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
SYK P43405 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
CHEK1 O14757 1/20 0.44
APP P05067 1/20 0.44
MME P08473 1/20 0.44
MMEL1 Q495T6 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL26659934 0.83 FYN (0.56) NAAASLC13A5GRM2HTR7XDH
SCHEMBL11673547 0.83 NAAA (0.50) NAAASLC13A5GRM2HTR7XDH
SCHEMBL2006742 0.81 HTR7 (0.51) NAAASLC13A5GRM2HTR7XDH
SCHEMBL2934073 0.81 HTR7 (0.72) HTR7PTPRCPTPN1KCNH2HTR1A
SCHEMBL7221234 0.80 HTR7 (0.57) HTR7APPHTR1AHTR2CHTR2B
SCHEMBL10892045 0.80 ALDH1A1 (0.57) APP
SCHEMBL6950322 0.79 KDM4E (0.46) SLC13A5PPARGPPARAMMEMMEL1
SCHEMBL25146394 0.79 S1PR1 (0.64) NAAASLC13A5GRM2HTR7XDH
SCHEMBL7229895 0.79 CYP1A1 (0.46) HTR7HTR2CPGR
SCHEMBL19043338 0.79 SLC13A5 (0.49) NAAASLC13A5GRM2HTR7XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101090977-B Tripeptide and tetrapeptide thioethers TELIK INC 2013-04-10 CN disclosed
US-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists LEK PHARMACEUTICALS D.D. (SI) 2009-12-24 US disclosed
EP-1833842-B1 TRIPEPTIDE AND TETRAPEPTIDE SULFONES TELIK INC (US) 2008-10-08 EP disclosed
EP-1833978-B1 TRIPEPTIDE AND TETRAPEPTIDE THIOETHERS TELIK INC (US) 2008-10-08 EP disclosed
EP-1833842-A1 TRIPEPTIDE AND TETRAPEPTIDE SULFONES TELIK, INC. (US) 2007-09-19 EP disclosed
EP-1833978-A1 TRIPEPTIDE AND TETRAPEPTIDE THIOETHERS TELIK, INC. (US) 2007-09-19 EP disclosed
US-7192918-B2 Tripeptide and tetrapeptide sulfones TELIK, INC. (US) 2007-03-20 US disclosed
WO-2006074409-A9 TRIPEPTIDE AND TETRAPEPTIDE SULFONES TELIK INC (US) 2006-12-14 WO disclosed
US-7129215-B2 Tripeptide and tetrapeptide thioethers TELIK, INC. (US) 2006-10-31 US disclosed
WO-2006103068-A1 A SYNTHESIS OF 4-BROMOMETHYL-2'-FORMYLBIPHENYL AND 4-BROMOMETHYL-2'- HYDROXYMETHYLBIPHENYL AND ITS USE IN PREPARATION OF ANGIOTENSIN II ANTAGONISTS LEK PHARMACEUTICALS D.D. (SI) 2006-10-05 WO disclosed
US-20060160749-A1 TRIPEPTIDE AND TETRAPEPTIDE THIOETHERS TELIK, INC. 2006-07-20 US disclosed
WO-2006074249-A1 TRIPEPTIDE AND TETRAPEPTIDE THIOETHERS TELIK, INC. (US) 2006-07-13 WO disclosed
WO-2006074409-A1 TRIPEPTIDE AND TETRAPEPTIDE SULFONES TELIK, INC. (US) 2006-07-13 WO disclosed
US-20060148719-A1 Tripeptide and tetrapeptide sulfones TELIK, INC. 2006-07-06 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-20060160749-A1 TRIPEPTIDE AND TETRAPEPTIDE THIOETHERS MCL1, THPO, MYADM NAAA 2846/4885SLC13A5 3447/4885GRM2 2649/4885
US-20060148719-A1 Tripeptide and tetrapeptide sulfones MCL1, MYD88, MYADM NAAA 1759/4885SLC13A5 3068/4885GRM2 2647/4885
US-20090318521-A1 Synthesis of 4-Bromomethyl-2'-Formylbiphenyl and 4-Bromomethyl-2'-Hydroxymethylbiphenyl and Its Use in Preparation of Giotensin II Antagonists GRK4, GRK2, GRK5 NAAA 1205/4885SLC13A5 4160/4885GRM2 165/4885

“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.