SCHEMBL417696

SCHEMBL417696

O=C(N[C@@H]1CC=CC[C@@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
CPB1 P15086 2/20 0.54
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 1/20 0.49
EPHX1 P07099 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL3744086 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL7114434 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL13198668 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL6027318 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL6182604 1.00 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCYP1A2
SCHEMBL4261374 0.90 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL4261378 0.90 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL4083202 0.90 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5029572 0.89 TSHR (0.57) ALDH1A1GAACPB1TSHREPHX1
SCHEMBL5029578 0.89 TSHR (0.57) ALDH1A1GAACPB1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20240228508-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2024-07-11 US disclosed
US-11851442-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2023-12-26 US disclosed
US-20210387998-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION 2021-12-16 US disclosed
US-11161855-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2021-11-02 US disclosed
US-20200040002-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2020-02-06 US disclosed
US-10370387-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-08-06 US disclosed
US-20180148460-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2018-05-31 US disclosed
US-9777017-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-10-03 US disclosed
US-9181271-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-11-10 US disclosed
US-20060128680-A1 Macrocyclic module compositions KRIESEL JOSH 2006-06-15 US disclosed
US-20060041077-A1 Nanofilm compositions with polymeric components COVALENT PARTNERS LLC 2006-02-23 US disclosed
US-20050154199-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2005-07-14 US disclosed
US-6914048-B2 Method for delivery of molecules to intracellular targets WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-07-05 US disclosed
US-20040260085-A1 Nanofilm and membrane compositions COVALENT PARTNERS LLC 2004-12-23 US disclosed
US-6683154-B1 UNNATURAL CATIONIC OLIGOMERS THAT HAVE NO KNOWN NATURAL COUNTERPART AND THAT DISPLAY ANTIBIOTIC ACTIVITY COMPARABLE TO THAT OF MAGAININ DERIVATIVE AGAINST AT LEAST FOUR DIFFERENT BACTERIAL SPECIES, YET EXHIBIT LOWER HEMOLYTIC ACTIVITY WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-01-27 US disclosed
US-6613876-B1 Covalently linking subunit of given formula to a plurality of separable solid substrates; deprotecting; used for generating combinatorial libraries WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-09-02 US disclosed
US-20030119189-A1 Method for delivery of molecules to intracellular targets NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-06-26 US disclosed
US-20020037997-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-03-28 US disclosed
US-6060585-A β-polypeptide foldamers of well-defined secondary structure WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-05-09 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 (12 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-20240228508-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 4431/4885GAA 4144/4885CPB1 3695/4885
US-20200040002-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 4431/4885GAA 4144/4885CPB1 3695/4885
US-20180148460-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 4431/4885GAA 4144/4885CPB1 3695/4885
US-20030119189-A1 Method for delivery of molecules to intracellular targets DNPEP, SLC7A1, PHAX ALDH1A1 3895/4885GAA 628/4885CPB1 634/4885
US-11851442-B2 Tricyclic fused thiophene derivatives as JAK inhibitors JAK1, JAK3, JAK2 ALDH1A1 4431/4885GAA 4144/4885CPB1 3695/4885
US-11161855-B2 Tricyclic fused thiophene derivatives as JAK inhibitors JAK1, JAK3, JAK2 ALDH1A1 4431/4885GAA 4144/4885CPB1 3695/4885
US-20050154199-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 ALDH1A1 3961/4885GAA 2779/4885CPB1 1631/4885
US-20060128680-A1 Macrocyclic module compositions CYCS, IMMT, INTS9 ALDH1A1 4880/4885GAA 3676/4885CPB1 1455/4885
US-20040260085-A1 Nanofilm and membrane compositions CLPTM1, APMAP, PHOSPHO1 ALDH1A1 4428/4885GAA 1352/4885CPB1 3722/4885
US-10370387-B2 Tricyclic fused thiophene derivatives as JAK inhibitors JAK1, JAK3, JAK2 ALDH1A1 4431/4885GAA 4144/4885CPB1 3695/4885
US-20020037997-A1 Beta-amino acids BCAT1, BCAT2, MARCKS ALDH1A1 4863/4885GAA 3570/4885CPB1 200/4885
US-20210387998-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 4431/4885GAA 4144/4885CPB1 3695/4885

“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.