Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4777095

NC1CCc2cc(Br)ccc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.51
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL354978 0.85 OPRK1 (0.62) OPRK1DRD2DRD3NFKB1THPO
SCHEMBL354979 0.85 OPRK1 (0.62) OPRK1DRD2DRD3NFKB1THPO
SCHEMBL3020673 0.85 OPRK1 (0.62) OPRK1DRD2DRD3NFKB1THPO
Hydrochloric Acid SCHEMBL4117494 0.83 OPRK1 (0.61) OPRK1DRD2DRD3NFKB1THPO
Hydrochloric Acid SCHEMBL4108116 0.83 OPRK1 (0.61) OPRK1DRD2DRD3NFKB1THPO
Hydrochloric Acid SCHEMBL4108112 0.83 OPRK1 (0.61) OPRK1DRD2DRD3NFKB1THPO
SCHEMBL415207 0.78 DRD2 (0.62) OPRK1DRD2DRD3NFKB1THPO
SCHEMBL7451568 0.78 DRD2 (0.62) OPRK1DRD2DRD3NFKB1THPO
Hydrochloric Acid SCHEMBL21810869 0.77 DRD2 (0.61) OPRK1DRD2DRD3NFKB1THPO
SCHEMBL5197655 0.74 CA1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US disclosed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP disclosed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO disclosed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 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 (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-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R OPRK1 90/4885DRD2 96/4885DRD3 102/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R OPRK1 90/4885DRD2 96/4885DRD3 102/4885

“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.