SCHEMBL3999963

SCHEMBL3999963

Cc1cc(C(C)(C)C)c(OC(=O)C2CC2)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL295975 0.81 KDM4E (0.40) ATMALDH1A1CA2POLBTYR
SCHEMBL295477 0.80 ALDH1A1 (0.38) ATMALDH1A1CA2POLBTYR
SCHEMBL8407409 0.77 ALDH1A1 (0.48) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL2129348 0.76 VCAM1 (0.36) SMN1; SMN2
SCHEMBL2126900 0.76 ALDH1A1 (0.35) ATMALDH1A1CA2POLBTYR
SCHEMBL8094382 0.74 ALDH1A1 (0.45) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6912228 0.74 VCAM1 (0.49) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL19770698 0.73 ALDH1A1 (0.41) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL6408936 0.73 VCAM1 (0.36) SMN1; SMN2
SCHEMBL28681477 0.73 KMT2A (0.52) ATMPOLBSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239843-B2 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-03-26 US disclosed
US-10239843-B2 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-03-26 US disclosed
US-20180016242-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
US-20180016242-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
US-20180016242-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US disclosed
EP-3230273-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG Cancer Research Technology Ltd (GB) 2017-10-18 EP disclosed
WO-2016092326-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-16 WO disclosed
WO-2016092326-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-16 WO disclosed
US-8153647-B2 Aryl- and heteroaryl-ethyl-acylguanidine derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20090203696-A1 Aryl- and Heteroaryl-Ethyl-Acylguanidine Derivatives, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
EP-1536782-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN Pfizer Limited (GB) 2005-06-08 EP disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed
WO-2005027975-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS PFIZER LIMITED (GB) 2005-03-31 WO disclosed
US-20050065176-A1 Combinations FIELD MARK JOHN (GB) 2005-03-24 US disclosed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-20040157847-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-08-12 US disclosed
US-20040092522-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-05-13 US disclosed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 WO disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 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 (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-20090203696-A1 Aryl- and Heteroaryl-Ethyl-Acylguanidine Derivatives, Their Preparation and Their Application in Therapeutics RAB9A, UGT1A9, CD59 ATM 2533/4885ALDH1A1 1212/4885CA2 4659/4885
US-20180016242-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG PARG, PARP15, PARP12 ATM 2780/4885ALDH1A1 1788/4885CA2 1579/4885
US-20040092522-A1 Synergistic combinations PDE2A, PDE1B, PDE1A ATM 3432/4885ALDH1A1 1358/4885CA2 314/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A ATM 4585/4885ALDH1A1 3683/4885CA2 180/4885
US-20050065176-A1 Combinations CHRNE, CHRND, CHRNG ATM 3725/4885ALDH1A1 4325/4885CA2 880/4885
US-10239843-B2 2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG PARG, PARP15, PARP12 ATM 2780/4885ALDH1A1 1788/4885CA2 1579/4885
US-20040157847-A1 Synergistic combinations PDE2A, PDE1B, PDE1A ATM 3432/4885ALDH1A1 1358/4885CA2 314/4885

“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.