SCHEMBL14105

SCHEMBL14105

Cc1ccc(SC(F)(F)F)cc1OCCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.37
PTPRZ1 P23471 2/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 4/20 0.36
PPARA Q07869 4/20 0.36
HTR2B P41595 3/20 0.36
PPARG P37231 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRA1A P35348 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13699 0.88 SMN1; SMN2 (0.41) SMN1; SMN2PTPRZ1HTR1BHTR2APPARA
SCHEMBL14850049 0.83 HTT (0.38) SMN1; SMN2TSHRPTPRZ1HTR1BHTR2A
SCHEMBL14850078 0.80 LMNA (0.39) SMN1; SMN2PTPRZ1HTR1BHTR2APPARA
SCHEMBL13866 0.77 PPARA (0.41) SMN1; SMN2TSHRHTR2APPARAHTR2B
SCHEMBL13672 0.75 FFAR4 (0.46) SMN1; SMN2TSHRPPARAHTR2BPPARG
SCHEMBL14015 0.74 FFAR1 (0.44) SMN1; SMN2TSHRHTR1BHTR2APPARA
SCHEMBL13697 0.74 TSHR (0.62) SMN1; SMN2TSHRPPARAHTR2BPPARG
SCHEMBL13949 0.72 SMN1; SMN2 (0.39) SMN1; SMN2TSHRPTPRZ1HTR2AHTR2B
SCHEMBL14853440 0.71 EPAS1 (0.46) SMN1; SMN2TSHRPTPRZ1HTR2APPARA
SCHEMBL14853435 0.71 ALDH1A1 (0.46) SMN1; SMN2TSHRHTR1BHTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT SMN1; SMN2 3979/4885TSHR 4385/4885PTPRZ1 3277/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SMN1; SMN2 3979/4885TSHR 4385/4885PTPRZ1 3277/4885

“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.