SCHEMBL3268719

SCHEMBL3268719

Cc1ccc2ccc(F)cc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2A6 P11509 3/20 0.37
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.34
KIF11 P52732 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ABL1 P00519 1/20 0.34
PMM2 O15305 1/20 0.33
G6PD P11413 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CASP3 P42574 1/20 0.33
MPO P05164 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
AHR P35869 1/20 0.32
ACHE P22303 2/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL5511551 0.86 CYP1A2 (0.40) TYMSCYP1A2CYP2A6TSHRKIF11
SCHEMBL6041439 0.78 TYMS (0.41) TYMSCYP1A2CYP2A6TSHRCASP3
SCHEMBL30640484 0.78 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1MAPT
SCHEMBL20967452 0.78 TYMS (0.45) TYMSCYP1A2CYP2A6CYP19A1TSHR
SCHEMBL3267082 0.78 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1MAPT
SCHEMBL21939792 0.78 CYP1A2 (0.52) TYMSCYP1A2CYP2A6CYP19A1TSHR
SCHEMBL12819526 0.75 PTGS1 (0.40) TYMSCYP1A2CYP2A6CYP19A1TSHR
SCHEMBL3267833 0.75 CYP3A4 (0.43) TYMSCYP1A2CYP2A6TSHRMEN1
SCHEMBL31040134 0.75 CYP19A1 (0.42) CYP1A2CYP19A1NFE2L2ACHEMAPT
SCHEMBL30377849 0.74 CYP1A2 (0.52) TYMSCYP1A2CYP2A6CYP19A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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 (2 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 TYMS 4095/4885CYP1A2 972/4885CYP2A6 572/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 TYMS 3646/4885CYP1A2 292/4885CYP2A6 524/4885

“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.