SCHEMBL111906

SCHEMBL111906

NCc1ccc(NC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.53
KLK1 P06870 7/20 0.53
KLK6 Q92876 6/20 0.53
KLKB1 P03952 5/20 0.51
PLAU P00749 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
TPSAB1 Q15661 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PLAT P00750 1/20 0.47
PRSS1 P07477 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
SMYD3 Q9H7B4 2/20 0.46

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 SCHEMBL7444704 0.98 PLG (0.54) PLGKLK1KLK6KLKB1PLAU
SCHEMBL27905664 0.84 RAB9A (0.58) PLGKLK1KLK6KLKB1PLAU
SCHEMBL19668154 0.83 HTR6 (0.49) CYP1A2CYP2C19LOXL2
SCHEMBL4317924 0.83 PTPN11 (0.55) PLGKLK1KLK6KLKB1PLAU
SCHEMBL27644382 0.83 KLKB1 (0.51) PLGKLK1KLK6KLKB1PLAU
SCHEMBL8530522 0.83 PEPD (0.59) PLGKLK1KLK6KLKB1PLAU
SCHEMBL29092627 0.82 POLB (0.50) HDAC3HDAC6
SCHEMBL2762349 0.82 POLB (0.62) TSHR
SCHEMBL545945 0.82 SMN1; SMN2 (0.65) TSHR
SCHEMBL7307424 0.81 SMN1; SMN2 (0.47) PLGKLK1KLK6KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106046100-A 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-aryl derivatives, methods for the production thereof and the use thereof for treating diseases 拜耳知识产权有限责任公司 2016-10-26 CN claimed
CN-102596985-A 17-hydroxy-17-pentafluoroethyl-estra-4, 9(10) -dien-11-aryl derivatives, method for the production thereof and use thereof for treating diseases BAYER SCHERING PHARMA AG 2012-07-18 CN claimed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-13 US disclosed
US-11987568-B2 Allosteric inhibitor of WEE1 kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-05-21 US disclosed
EP-3778573-B1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO LTD (JP) 2024-04-24 EP disclosed
WO-2024076929-A2 IRREVERSIBLE INACTIVATORS TARGETING ARAF/MEK COMPLEXES DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
EP-4301417-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES The Research Foundation for The State University of New York (US) 2024-01-10 EP disclosed
WO-2023196473-A2 SMALL MOLECULE INHIBITORS OF ID PROTEINS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-10-12 WO disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-11629152-B2 Compound with anticancer activity KYOWA KIRIN CO., LTD. (JP) 2023-04-18 US disclosed
CN-101336244-A 9-membered heterobicyclic compounds useful as protein kinase inhibitors ABBOTT LAB (US) 2008-12-31 CN disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed
WO-2007066102-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
EP-1169316-B9 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-10-29 EP disclosed
EP-1169316-B1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
EP-1169316-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-09 EP disclosed
WO-2000059899-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEIL DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 WO 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-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES TLR7, TLR8, TLR9 PLG 4319/4885KLK1 3892/4885KLK6 3192/4885
US-11987568-B2 Allosteric inhibitor of WEE1 kinase WEE1, WEE2, PAXBP1 PLG 4219/4885KLK1 835/4885KLK6 1719/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PLG 4080/4885KLK1 857/4885KLK6 737/4885
US-11629152-B2 Compound with anticancer activity TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PLG 4080/4885KLK1 857/4885KLK6 737/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 PLG 1938/4885KLK1 2102/4885KLK6 3222/4885

“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.