SCHEMBL5350952

SCHEMBL5350952

COC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
RAB9A P51151 2/20 0.71
HTT P42858 1/20 0.71
KCNK3 O14649 2/20 0.71
LMNA P02545 1/20 0.70
KCNK9 Q9NPC2 1/20 0.70
PTGS1 P23219 2/20 0.67
P2RX1 P51575 1/20 0.66
TP53 P04637 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RXFP1 Q9HBX9 2/20 0.62
GPR17 Q13304 1/20 0.61
RHOC P08134 1/20 0.60
RHOA P61586 1/20 0.60
POLB P06746 2/20 0.59

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
SCHEMBL28268751 0.90 RAB9A (0.74) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL28007500 0.88 RAB9A (0.70) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL4656855 0.87 MAPT (0.78) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL4286068 0.87 MAPT (0.94) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL31355711 0.87 CES2 (0.65) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL40351 0.87 CES2 (0.65) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL15848265 0.87 ALDH1A1 (0.59) MAPTMEN1KMT2ARAB9AHTT
Ethane SCHEMBL27386119 0.85 CES2 (0.62) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL2494871 0.85 KCNK3 (0.81) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL15094033 0.85 MAPT (0.78) MAPTMEN1KMT2ARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 US disclosed
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment UNIVERSITY OF SOUTH FLORIDA 2017-03-30 US disclosed
US-9556131-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
EP-2938612-A1 PROTEIN KINASE INHIBITORS OriBase Pharma (FR) 2015-11-04 EP disclosed
US-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2014-12-25 US disclosed
EP-2800568-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT University Of South Florida (US) 2014-11-12 EP disclosed
WO-2014102376-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
WO-2013103760-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-11 WO disclosed
US-7312181-B2 Acylated thiosemicarbazides as herbicides CROPSOLUTION, INC. (US) 2007-12-25 US disclosed
WO-2006110276-A2 ACYLATED THIOSEMICARBAZIDES AS HERBICIDES CROPSOLUTION, INC. (US) 2006-10-19 WO disclosed
US-20060229206-A1 Acylated thiosemicarbazides as herbicides ATP CAPITAL LP 2006-10-12 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 (5 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-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA MAPT 2458/4885MEN1 2896/4885KMT2A 1425/4885
US-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 MAPT 1382/4885MEN1 1780/4885KMT2A 1449/4885
US-10604493-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA MAPT 2458/4885MEN1 2896/4885KMT2A 1425/4885
US-20170088524-A1 Compositions, Methods of Use, And Methods of Treatment LIPA, LCT, GAA MAPT 2458/4885MEN1 2896/4885KMT2A 1425/4885
US-20060229206-A1 Acylated thiosemicarbazides as herbicides NAT1, AADAC, HACL2 MAPT 4149/4885MEN1 4592/4885KMT2A 405/4885

“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.