SCHEMBL377071

SCHEMBL377071

NC(=O)CCCC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 3/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 2/20 0.32
SOAT1 P35610 1/20 0.32
ALOX15 P16050 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
Hydrochloric Acid SCHEMBL376782 0.97 KMT2A (0.31) FAAHKMT2ACYP1A2TP53CYP3A4
SCHEMBL1766736 0.92 FAAH (0.35) FAAHKMT2ACYP1A2TP53CYP3A4
Hydrochloric Acid SCHEMBL5707326 0.90 FAAH (0.34) FAAHKMT2ACYP1A2TP53CYP3A4
SCHEMBL24096259 0.90 FAAH (0.39) FAAHKMT2ACYP1A2TP53CYP3A4
SCHEMBL429299 0.86
Hydrochloric Acid SCHEMBL6594522 0.83 ALOX15 (0.32) KMT2ACYP1A2TP53CYP3A4CYP2C19
SCHEMBL28566932 0.81 ALOX15 (0.31) KMT2ACYP1A2TP53CYP3A4CYP2C19
SCHEMBL25307541 0.80 PLA2G4A (0.33) FAAHKMT2ACYP1A2MEN1HSD17B10
SCHEMBL565341 0.78 LMNA (0.53) KMT2ACYP1A2MEN1ALOX15BLM
SCHEMBL866440 0.78 FAAH (0.31) FAAHKMT2ACYP1A2MEN1HSD17B10

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US claimed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US claimed
EP-2419086-A2 BIOAVAILABLE COMPOSITIONS OF AMORPHOUS ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND Bristol-Myers Squibb Company (US) 2012-02-22 EP claimed
WO-2010120662-A2 BIOAVAILABLE COMPOSITIONS OF AMORPHOUS ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO claimed
US-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2024-10-10 US disclosed
US-11981929-B2 Use of small molecules to enhance MAFA expression in pancreatic endocrine cells JANSSEN BIOTECH, INC. (US) 2024-05-14 US disclosed
CN-114286828-A Dosing regimens and combination therapies for multispecific antibodies targeting B cell maturation antigens 诺华股份有限公司 2022-04-05 CN disclosed
CN-114173810-A Trispecific binding molecules directed against BCMA and uses thereof 诺华股份有限公司 2022-03-11 CN disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN disclosed
US-20180021259-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-25 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2006040178-A9 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2007-04-19 WO disclosed
WO-2006040177-A1 6-AMINO(AZA)INDANE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 WO disclosed
WO-2006040180-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2006040178-A1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO.KG (DE) 2006-04-20 WO disclosed
WO-2006040176-A1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
WO-2006040179-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 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 (4 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-20180021259-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE TP53, HCCS, SCNN1B FAAH 3718/4885KMT2A 4790/4885CYP1A2 2227/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 FAAH 1199/4885KMT2A 2045/4885CYP1A2 1665/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C FAAH 4392/4885KMT2A 2825/4885CYP1A2 875/4885
US-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 DDR1, DDR2, DDRGK1 FAAH 4819/4885KMT2A 3527/4885CYP1A2 2843/4885

“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.