SCHEMBL4356626

SCHEMBL4356626

CCc1ccc2c(c1)C1(NN=C(c3ccccc3)S1)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 18/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
HPGD P15428 3/20 1.00
ALDH1A1 P00352 3/20 1.00
LMNA P02545 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPK1 P28482 2/20 1.00
MAPT P10636 3/20 0.81
HTT P42858 3/20 0.81
TDP1 Q9NUW8 3/20 0.81
L3MBTL1 Q9Y468 3/20 0.81
KDM4E B2RXH2 2/20 0.81
TP53 P04637 2/20 0.81
SLC27A2 O14975 1/20 0.69
XBP1 P17861 1/20 0.68
MDM2 Q00987 1/20 0.68
MMP12 P39900 1/20 0.54

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
SCHEMBL4345668 0.89 ADAMTS5 (1.00) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22571291 0.89 ADAMTS5 (0.81) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4354514 0.88 ADAMTS5 (0.81) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22571283 0.88 ADAMTS5 (0.78) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4983114 0.86 ADAMTS5 (0.78) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4347482 0.86 ADAMTS5 (1.00) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4985762 0.86 ADAMTS5 (0.79) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL6273051 0.85 SMN1; SMN2 (0.76) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL4354096 0.84 ADAMTS5 (1.00) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL15614739 0.82 SMN1; SMN2 (1.00) ADAMTS5SMN1; SMN2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 EP claimed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US claimed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 WO claimed
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 WO claimed
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
WO-2020214896-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-22 WO disclosed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 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 (7 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 ADAMTS5 2846/4885SMN1; SMN2 595/4885HPGD 268/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 ADAMTS5 3338/4885SMN1; SMN2 2677/4885HPGD 2421/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 ADAMTS5 3338/4885SMN1; SMN2 2677/4885HPGD 2421/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 ADAMTS5 3338/4885SMN1; SMN2 2677/4885HPGD 2421/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA ADAMTS5 2710/4885SMN1; SMN2 839/4885HPGD 236/4885
US-20220202785-A1 SMALL MOLECULE INHIBITORS OF GPCR GPR68 AND RELATED RECEPTORS FOR TREATING CANCER, GLIOBLASTOMA, AND OTHER INDICATIONS GPR68, GPR65, GPR4 ADAMTS5 3017/4885SMN1; SMN2 991/4885HPGD 2490/4885
US-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 ADAMTS5 1/4885SMN1; SMN2 876/4885HPGD 86/4885

“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.