SCHEMBL5269274

SCHEMBL5269274

Cc1ccc(C(C)NCc2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GPR139 Q6DWJ6 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 1/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
HSD17B10 Q99714 1/20 0.33
CASR P41180 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5267270 0.83 SMN1; SMN2 (0.54) ALDH1A1KDM4ESMN1; SMN2ADRB2CASR
SCHEMBL5267478 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EGPR139SMN1; SMN2ADRB2
SCHEMBL18432763 0.80 KDM4E (0.39) ALDH1A1KDM4EGPR139SMN1; SMN2TRPA1
SCHEMBL6443358 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EGPR139SMN1; SMN2ADRB2
SCHEMBL5273020 0.80 RAPGEF4 (0.35) ALDH1A1KDM4ESMN1; SMN2LMNARAPGEF4
SCHEMBL5266896 0.80 RAPGEF4 (0.34) ALDH1A1KDM4ESMN1; SMN2LMNARAPGEF4
SCHEMBL5273616 0.80 RAPGEF4 (0.30) ALDH1A1KDM4ERAPGEF4
SCHEMBL5273175 0.80 RAB9A (0.44) LMNARAPGEF4POLBKMT2A
SCHEMBL5266312 0.80 HDAC6 (0.37) GPR139SLC6A2RAPGEF4POLB
SCHEMBL5266343 0.78 SMN1; SMN2 (0.49) ALDH1A1KDM4ESMN1; SMN2ADRB2LMNA

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
EP-1074539-B1 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL CO (JP) 2007-10-17 EP 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 ALDH1A1 141/4885KDM4E 3102/4885GPR139 2758/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 ALDH1A1 73/4885KDM4E 2234/4885GPR139 1886/4885

“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.