SCHEMBL5037320

SCHEMBL5037320

NCC1Cc2ccccc2C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HTR2A P28223 4/20 0.45
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
ACHE P22303 1/20 0.41
METAP1 P53582 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RET P07949 1/20 0.38
HTR2C P28335 1/20 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
SCHEMBL3921663 0.83 TSHR (0.57) TSHRCA12CA9PARP1PDPK1
SCHEMBL3921668 0.83 TSHR (0.57) TSHRCA12CA9PARP1PDPK1
SCHEMBL3926780 0.83 TSHR (0.57) TSHRCA12CA9PARP1PDPK1
SCHEMBL8966129 0.83 TSHR (0.62) TSHRHTR2ACA12CA9PARP1
SCHEMBL3926777 0.83 TSHR (0.57) TSHRCA12CA9PARP1PDPK1
SCHEMBL7099999 0.83 TSHR (0.57) TSHRCA12CA9PARP1PDPK1
SCHEMBL15184731 0.79 TSHR (0.53) TSHRCA12CA9PARP1PDPK1
SCHEMBL21591323 0.79 TSHR (0.53) TSHRCA12CA9PARP1PDPK1
SCHEMBL10050308 0.78 TSHR (0.55) TSHRCA12CA9PARP1ACHE
SCHEMBL30193337 0.77 TSHR (0.62) TSHRHTR2ACA12CA9PARP1

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 13 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
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-9416138-B2 Benzyl sulfonamide compounds useful as MoGAT-2 inhibitors ELI LILLY AND COMPANY (US) 2016-08-16 US 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-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS ELI LILLY AND COMPANY 2015-10-08 US disclosed
US-20150284404-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS ELI LILLY AND COMPANY 2015-10-08 US disclosed
EP-2917194-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS Eli Lilly and Company (US) 2015-09-16 EP disclosed
WO-2014074365-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS ELI LILLY AND COMPANY (US) 2014-05-15 WO disclosed
WO-2014074365-A1 NOVEL BENZYL SULFONAMIDE COMPOUNDS USEFUL AS MOGAT-2 INHIBITORS ELI LILLY AND COMPANY (US) 2014-05-15 WO disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 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 (1 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 2001/4885HTR2A 2783/4885CA12 3580/4885

“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.