SCHEMBL4818283

SCHEMBL4818283

CC(C)Cc1ccc(C(=O)CBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.57
PTPN1 P18031 5/20 0.53
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX5 P09917 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL30089557 0.84 PTGS1 (0.53) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL20221599 0.84 ESR1 (0.55) GSK3BPTPN1PTGS1PTGS2LMNA
SCHEMBL2140146 0.82 PTGS1 (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9441164 0.82 PTGS1 (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6140804 0.81 GSK3B (0.53) GSK3BPTPN1
SCHEMBL13643238 0.81 GSK3B (0.53) GSK3BPTPN1
SCHEMBL13643171 0.81 GSK3B (0.49) GSK3BPTPN1
SCHEMBL9543302 0.81 FAAH (0.59) GSK3BPTGS1PTGS2LMNACYP2C9
SCHEMBL21064585 0.79 PTGS1 (0.57) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL14297902 0.79 BLM (0.55) PTGS1PTGS2LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102307863-B Pyrimidine derivatives, horticultural insecticides comprising said derivatives and method of use thereof NIHON NOHYAKU CO LTD 2014-05-07 CN disclosed
CN-102307863-A Pyrimidine derivatives, horticultural insecticides comprising said derivatives and method of use thereof NIHON NOHYAKU CO LTD 2012-01-04 CN disclosed
US-7402602-B2 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2008-07-22 US disclosed
US-20070099975-A1 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2007-05-03 US disclosed
US-7157483-B2 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-01-02 US disclosed
US-20060069146-A1 Imidazole derivatives modulating the sodium channels SCRAS 2006-03-30 US disclosed
EP-1401432-B1 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS SOD CONSEILS RECH APPLIC (FR) 2005-09-14 EP disclosed
US-20040198792-A1 Imidazole derivatives modulating the sodium channels IPSEN PHARMA S.A.S. (FR) 2004-10-07 US disclosed
EP-1401432-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2004-03-31 EP disclosed
WO-2002102375-A2 IMIDAZOLE DERIVATIVES FOR MODULATING SODIUM CHANNELS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-12-27 WO disclosed
US-4675419-A Process for preparing α-hydroxy-acids and compounds obtained by this process SANOFI (FR) 1987-06-23 US disclosed
US-4033978-A Thiacycl[2.2.2]azine carboxylic acids SYNTEX (U.S.A.) INC. (US) 1977-07-05 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-20040198792-A1 Imidazole derivatives modulating the sodium channels SCN1A, SCN1B, TRPV1 GSK3B 986/4885PTPN1 1968/4885PTGS1 573/4885
US-20070099975-A1 Imidazole derivatives modulating the sodium channels SCN2B, KCNJ2, SCN1B GSK3B 2860/4885PTPN1 2100/4885PTGS1 1129/4885
US-20060069146-A1 Imidazole derivatives modulating the sodium channels SCN1B, SCN1A, SCN2B GSK3B 677/4885PTPN1 2999/4885PTGS1 629/4885

“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.