SCHEMBL2773091

SCHEMBL2773091

OCc1ccc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.41
BRAF P15056 1/20 0.38
AHR P35869 1/20 0.38
PTGS2 P35354 1/20 0.38
ESR2 Q92731 2/20 0.37
NR1H2 P55055 2/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
RXRA P19793 1/20 0.36
NR1H3 Q13133 1/20 0.36
CNR1 P21554 1/20 0.36
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
GPR17 Q13304 1/20 0.35
AGXT P21549 1/20 0.35
KIF11 P52732 1/20 0.35
MAPK14 Q16539 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30303054 0.84 ALDH1A1 (0.43) MAPK14SMN1; SMN2
SCHEMBL697564 0.84 ALDH1A1 (0.43) MAPK14SMN1; SMN2
SCHEMBL2790208 0.82 AHR (0.39) RPS6KA3AHRPTGS2ESR2NR1H2
SCHEMBL6299131 0.82 ESR2 (0.57) BRAFAHRESR2SMN1; SMN2
SCHEMBL12603776 0.81 SCN9A (0.42) AHRPTGS2NR1H2NR1I2NR3C1
SCHEMBL8026801 0.80 KIF11 (0.44) RPS6KA3PTGS2CNR1BCL2L1BAD
SCHEMBL7945344 0.77 TNKS2 (0.40) PTGS2NR1H2RXRANR1H3BCL2L1
SCHEMBL13873211 0.77 NR3C1 (0.36) AHRPTGS2NR1H2NR1I2NR3C1
SCHEMBL13756277 0.77 RAB9A (0.40) PTGS2AGXTSMN1; SMN2
SCHEMBL13873019 0.77 AKR1C2 (0.38) AHRPTGS2NR1H2NR1I2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590321-B1 ARYL ALKYL CARBAMATE DERIVATIVES PRODUCTION AND USE THEREOF IN THERAPY SANOFI AVENTIS (FR) 2010-04-28 EP disclosed
US-7632850-B2 2-amino-2-oxoethyl 1-(4'-fluoro-1,1'-biphenyl-4-yl)cyclopropylmethylcarbamate and 2-(methylamino)-2-oxoethyl 1-(4'-fluoro-1,1'-biphenyl-4-yl)cyclopropylmethylcarbamate; fatty acid amide (FAAH) hyrdrolase inhibitors; analgesics; neuropathic pain;psychological disorders; anticarcinogenic agents; AIDS SANOFI-AVENTIS (FR) 2009-12-15 US disclosed
US-20060014830-A1 Arylalkylcarbamate derivatives production and use thereof in therapy SANOFI-AVENTIS (FR) 2006-01-19 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 (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-20060014830-A1 Arylalkylcarbamate derivatives production and use thereof in therapy CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C5 RPS6KA3 3064/4885BRAF 1576/4885AHR 494/4885

“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.