SCHEMBL6662002

SCHEMBL6662002

FC(F)(F)c1cccc(CN=C=C=S)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.77
GRIN2B Q13224 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 2/20 0.46
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
HTR2C P28335 1/20 0.45
ACP3 P15309 1/20 0.44
GRIN1 Q05586 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL2340843 0.87 MIF (1.00) MIFGRIN2BTAAR1IDO1HTR2A
SCHEMBL6660390 0.84 MIF (0.67) MIFGRIN2BTAAR1IDO1HTR2A
SCHEMBL2489084 0.80 MIF (0.71) MIFGRIN2BTAAR1IDO1HTR2A
SCHEMBL7079916 0.80 MIF (0.71) MIFGRIN2BTAAR1IDO1HTR2A
SCHEMBL6657463 0.76 HTR3E (0.49) MIFGRIN2BTAAR1IDO1ALDH1A1
SCHEMBL43367 0.74 MIF (0.62) MIFGRIN2BTAAR1IDO1HTR2A
SCHEMBL3636560 0.74 MIF (0.62) MIFTAAR1IDO1HTR2AHTR2B
SCHEMBL1145488 0.71 TAAR1 (0.60) MIFGRIN2BTAAR1IDO1HTR2A
SCHEMBL8069977 0.71 TAAR1 (0.60) MIFGRIN2BTAAR1IDO1HTR2A
SCHEMBL5103155 0.70 TAAR1 (0.64) MIFGRIN2BTAAR1IDO1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320521-B1 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY DERIVATIVES OF CYCLOPENTYL-HEPTAN(EN)OIC ACID AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2004-07-21 EP disclosed
US-20020058692-A1 CYCLOPENTANE HEPTAN(ENE)OIC ACID, 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY COMPOUNDS AS THERAPEUTIC AGENTS ALLERGAN SALES, INC. 2002-05-16 US disclosed
US-6380251-B1 THERAPY OF OCULAR HYPERTENSION WHICH COMPRISES ADMINISTERING CYCLOPENTANE HEPTAN(ENE)OIC ACID OR ITS 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY DERIVATIVES ALLERGAN SALES, INC. 2002-04-30 US disclosed
US-6291522-B1 OCULAR HYPOTENSIVES. ALLERGAN SALES, INC. 2001-09-18 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-20020058692-A1 CYCLOPENTANE HEPTAN(ENE)OIC ACID, 2-THIOCARBAMOYLOXY AND 2-CARBAMOYLOXY COMPOUNDS AS THERAPEUTIC AGENTS OXER1, ENY2, CYP8B1 MIF 2729/4885GRIN2B 2698/4885TAAR1 637/4885

“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.