SCHEMBL3714744

SCHEMBL3714744

Cc1ccc(OCC(=O)O)c(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.61
TSHR P16473 2/20 0.61
GAA P10253 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
HPGD P15428 1/20 0.61
PTGDR2 Q9Y5Y4 4/20 0.60
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
USP2 O75604 1/20 0.55
ALPL P05186 1/20 0.54
HSP90AA1 P07900 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL320418 0.84 PTGDR2 (0.66) PKMSMN1; SMN2TSHRPTGDR2TDP1
SCHEMBL1948781 0.83 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGAANPC1RAB9A
SCHEMBL11555227 0.83 L3MBTL1 (0.57) SMN1; SMN2TSHRGAANPC1RAB9A
SCHEMBL14066214 0.83 PTGDR2 (0.60) PKMSMN1; SMN2TSHRPTGDR2TDP1
SCHEMBL2113005 0.82 PTGDR2 (0.64) SMN1; SMN2TSHRGAANPC1RAB9A
SCHEMBL1615073 0.82 PKM (0.70) PKMSMN1; SMN2TSHRNPC1RAB9A
SCHEMBL4975454 0.81 PKM (0.64) PKMSMN1; SMN2TSHRPTGDR2MEN1
SCHEMBL2717225 0.81 PTGDR2 (0.62) PKMSMN1; SMN2TSHRPTGDR2TDP1
SCHEMBL5502944 0.81 PKM (0.68) PKMTSHRPTGDR2TDP1
SCHEMBL12145826 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TSHRGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1848687-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006082010-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT PKM 3251/4885SMN1; SMN2 3976/4885TSHR 2314/4885

“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.