SCHEMBL431704

SCHEMBL431704

NC(C(=O)O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 2/20 0.50
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
GRM4 Q14833 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SLC1A1 P43005 2/20 0.49
EPHX1 P07099 1/20 0.47

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
SCHEMBL2597751 1.00 HDAC4 (0.51) HDAC4HDAC7HDAC5HSD17B10MEN1
SCHEMBL23904583 1.00 HDAC4 (0.51) HDAC4HDAC7HDAC5HSD17B10MEN1
SCHEMBL29440623 1.00 HDAC4 (0.51) HDAC4HDAC7HDAC5HSD17B10MEN1
SCHEMBL1354525 0.85 HDAC4 (0.51) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL1354521 0.85 HDAC4 (0.51) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL2311787 0.81 SLC1A1 (0.54) HDAC4HDAC7HDAC5CYP2D6CES2
SCHEMBL19696914 0.81 SLC1A1 (0.54) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL30057785 0.81 FFAR1 (0.52) HSD17B10MEN1CYP2C9KMT2ATDP1
SCHEMBL19415782 0.81 HSD17B10 (0.50) HSD17B10MEN1CYP2C9KMT2ATDP1
SCHEMBL3711116 0.80 SRC (0.58) HDAC4HDAC7HDAC5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940787-A High-temperature-resistant and aging-resistant cable and preparation method thereof 王正忠 2022-08-26 CN claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-12622909-B2 Allosteric EGFR inhibitors and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-12 US disclosed
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
EP-4126876-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-02-08 EP disclosed
CN-114940787-A High-temperature-resistant and aging-resistant cable and preparation method thereof 王正忠 2022-08-26 CN disclosed
CN-114940787-A High-temperature-resistant and aging-resistant cable and preparation method thereof 王正忠 2022-08-26 CN disclosed
US-20220233545-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2022-07-28 US disclosed
CN-114206342-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2022-03-18 CN disclosed
WO-2021202796-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
US-20170172957-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. 2017-06-22 US disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
CN-1238779-A Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARM INC (US) 1999-12-15 CN disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 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 (3 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-12622909-B2 Allosteric EGFR inhibitors and methods of use thereof EGFR, ERBB3, ERBB2 HDAC4 1701/4885HDAC7 1803/4885HDAC5 2748/4885
US-20220233545-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 HDAC4 4440/4885HDAC7 3852/4885HDAC5 4325/4885
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM HDAC4 1397/4885HDAC7 1327/4885HDAC5 1045/4885

“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.