SCHEMBL3961470

SCHEMBL3961470

O=C(O)CC(Cc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.62
CPA1 P15085 3/20 0.61
CPB1 P15086 1/20 0.61
CPA3 P15088 1/20 0.61
CPB2 Q96IY4 1/20 0.61
PIN1 Q13526 1/20 0.53
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
HTR2C P28335 2/20 0.53
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.52
MAPT P10636 2/20 0.48
EPHX1 P07099 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACP3 P15309 1/20 0.48
ADRA2C P18825 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA1A P35348 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL3961475 1.00 FOLH1 (0.62) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL3961471 1.00 FOLH1 (0.62) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL1816528 0.85 HTR2A (0.56) CPA1HTR2AHTR2BHTR2CPPARA
SCHEMBL5095202 0.85 PPARA (0.64) HTR2AHTR2BHTR2CPPARAPPARG
SCHEMBL3959231 0.85 HTR2A (0.53) FOLH1PIN1HTR2AHTR2BHTR2C
SCHEMBL4608267 0.85 HTR2A (0.53) FOLH1PIN1HTR2AHTR2BHTR2C
Hydrochloric Acid SCHEMBL5095405 0.84 PPARA (0.63) HTR2AHTR2BHTR2CPPARAPPARG
SCHEMBL1915318 0.83 PPARA (0.49) FOLH1CPA1PIN1HTR2AHTR2B
SCHEMBL1915315 0.83 PPARA (0.49) FOLH1CPA1PIN1HTR2AHTR2B
SCHEMBL5808951 0.83 HTR2A (0.50) CPA1HTR2AHTR2BHTR2CPPARA

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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (3 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS FOLH1 1512/4885CPA1 621/4885CPB1 1738/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 FOLH1 900/4885CPA1 511/4885CPB1 1459/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 FOLH1 900/4885CPA1 511/4885CPB1 1459/4885

“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.