SCHEMBL4114544

SCHEMBL4114544

Cc1ccc(-c2csc(NC(=O)c3cccc(C)c3)c2C(=O)O)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.85
SENP8 Q96LD8 1/20 0.85
SENP7 Q9BQF6 1/20 0.85
SENP6 Q9GZR1 1/20 0.85
MEN1 O00255 10/20 0.69
KMT2A Q03164 10/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
GRIN2C Q14957 2/20 0.68
PRNP P04156 2/20 0.66
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
GFER P55789 1/20 0.64
ANO1 Q5XXA6 4/20 0.61
NLRP3 Q96P20 1/20 0.57
PKM P14618 1/20 0.56
TNF P01375 1/20 0.53

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
SCHEMBL3628774 0.94 CASP3 (0.83) CASP3SENP8SENP7SENP6MEN1
SCHEMBL4129079 0.92 CASP3 (0.80) CASP3SENP8SENP7SENP6MEN1
SCHEMBL4108484 0.92 CASP3 (0.80) CASP3SENP8SENP7SENP6MEN1
SCHEMBL3628387 0.92 CASP3 (1.00) CASP3SENP8SENP7SENP6MEN1
SCHEMBL21259152 0.90 MEN1 (0.80) CASP3SENP8SENP7SENP6MEN1
SCHEMBL3629641 0.90 CASP3 (0.77) CASP3SENP8SENP7SENP6MEN1
SCHEMBL3629752 0.90 MEN1 (0.76) CASP3SENP8SENP7SENP6MEN1
SCHEMBL3630322 0.89 CASP3 (0.76) CASP3SENP8SENP7SENP6MEN1
SCHEMBL4124608 0.86 CASP3 (0.72) CASP3SENP8SENP7SENP6MEN1
SCHEMBL12414185 0.86 CASP3 (0.71) CASP3SENP8SENP7SENP6MEN1

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
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US claimed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 US claimed
US-20230364057-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2023-11-16 US disclosed
US-20230364057-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2023-11-16 US disclosed
US-20230136466-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-05-04 US disclosed
US-20230136466-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-05-04 US disclosed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 US disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 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 (4 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-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885
US-20230364057-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF TOP1, DNA2, TOP2A CASP3 2122/4885SENP8 2907/4885SENP7 3380/4885
US-20230136466-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF TOP1, DNA2, TOP2A CASP3 2122/4885SENP8 2907/4885SENP7 3380/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CASP3 2232/4885SENP8 3756/4885SENP7 3940/4885

“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.