SCHEMBL8931387

SCHEMBL8931387

CC(C)(C)C1Cc2ccccc2C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
ACHE P22303 2/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
PARP1 P09874 2/20 0.41
PDPK1 O15530 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
MAP3K14 Q99558 1/20 0.41
TNKS2 Q9H2K2 2/20 0.40
TNKS O95271 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
DYRK1A Q13627 1/20 0.39
METAP1 P53582 2/20 0.38

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
SCHEMBL18765873 0.83 TSHR (0.57) TSHRACHECA12CA9PARP1
SCHEMBL29676731 0.83 TSHR (0.57) TSHRACHECA12CA9PARP1
SCHEMBL30193337 0.77 TSHR (0.62) TSHRACHECA12CA9PARP1
SCHEMBL12203700 0.77 TSHR (1.00) TSHRACHECA12CA9PARP1
SCHEMBL6448571 0.77 TSHR (1.00) TSHRACHECA12CA9PARP1
SCHEMBL397465 0.74 GAA (0.46) TSHRPNMT
SCHEMBL22417606 0.74 GAA (0.46) TSHRPNMT
SCHEMBL28846876 0.73 TSHR (0.62) TSHRACHECA12CA9PARP1
SCHEMBL6448569 0.73 TSHR (0.62) TSHRACHECA12CA9PARP1
SCHEMBL10345608 0.72 TSHR (0.62) TSHRACHECA12CA9PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917194-B1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS LILLY CO ELI (US) 2017-09-27 EP disclosed
US-9416138-B2 Benzyl sulfonamide compounds useful as MoGAT-2 inhibitors ELI LILLY AND COMPANY (US) 2016-08-16 US disclosed
US-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS ELI LILLY AND COMPANY 2015-10-08 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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 (2 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-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS MOGAT2, SOAT1, SOAT2 TSHR 2001/4885ACHE 3945/4885CA12 3580/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP TSHR 691/4885ACHE 3323/4885CA12 2523/4885

“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.