SCHEMBL6446832

SCHEMBL6446832

Cc1ccc(C(N)C(O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ADRA2C P18825 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ADRA2A P08913 1/20 0.55
HIF1A Q16665 1/20 0.55
ALDH1A1 P00352 2/20 0.53
DPP4 P27487 2/20 0.50
AOC3 Q16853 6/20 0.44
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL2438955 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL1131702 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL3802461 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL14959742 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL186279 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL82461 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL17514076 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL82462 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL2763479 0.87 DPP4 (0.65) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL27653298 0.85 DPP4 (0.70) LMNAADRA2CKDM4EADRA2AHIF1A

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
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 EP 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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 LMNA 1166/4885ADRA2C 219/4885KDM4E 3102/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 LMNA 1926/4885ADRA2C 251/4885KDM4E 2234/4885

“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.