SCHEMBL5084706

SCHEMBL5084706

FC(F)(F)c1cc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.59
RHOC P08134 2/20 0.53
RHOA P61586 2/20 0.53
GPBAR1 Q8TDU6 2/20 0.50
IDO1 P14902 2/20 0.50
MTOR P42345 2/20 0.47
MLYCD O95822 1/20 0.46
P2RX1 P51575 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
CES2 O00748 1/20 0.39
DAO P14920 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRZ1 P23471 1/20 0.39

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
SCHEMBL27312602 0.88 TACR1 (0.67) TACR1RHOCRHOAGPBAR1MTOR
SCHEMBL13461889 0.88 TACR1 (0.50) TACR1RHOCRHOAGPBAR1IDO1
SCHEMBL1587762 0.87 TACR1 (0.49) TACR1RHOCRHOAGPBAR1IDO1
SCHEMBL27312583 0.86 LMNA (0.53) TACR1RHOCRHOAGPBAR1MTOR
SCHEMBL22041212 0.86 TACR1 (0.49) TACR1RHOCRHOAGPBAR1IDO1
SCHEMBL4260305 0.83 RHOC (0.53) TACR1RHOCRHOAGPBAR1IDO1
SCHEMBL6991073 0.83 RHOC (0.56) TACR1RHOCRHOAGPBAR1IDO1
SCHEMBL2025172 0.81 IDO1 (0.52) TACR1RHOCRHOAIDO1MTOR
SCHEMBL681508 0.81 IDO1 (0.47) TACR1RHOCRHOAIDO1MTOR
SCHEMBL16950110 0.81 TACR1 (0.49) TACR1RHOCRHOAIDO1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683191-B2 Organic salts and method for producing chiral organic compounds Studiangesellschaft Kohle mbH (DE) 2010-03-23 US disclosed
US-7683191-B2 Organic salts and method for producing chiral organic compounds Studiangesellschaft Kohle mbH (DE) 2010-03-23 US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 US disclosed
EP-1991513-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS Studiengesellschaft Kohle mbH (DE) 2008-11-19 EP disclosed
WO-2007098741-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2007-09-07 WO disclosed
WO-2007098741-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2007-09-07 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-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS ICMT, OTC, PNPO TACR1 3412/4885RHOC 3823/4885RHOA 4221/4885

“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.