SCHEMBL391928

SCHEMBL391928

Cc1ccc(S(=O)(=O)Oc2cc(C)ccc2S(=O)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
GAA P10253 3/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
LMNA P02545 4/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.46
ALDH1A1 P00352 6/20 0.44
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 3/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL10333631 0.85 KMT2A (0.47) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL3978103 0.85 LMNA (0.58) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL29034585 0.83 CYP1A2 (0.49) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL342714 0.81 KMT2A (0.56) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL344099 0.81 KMT2A (0.56) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL4077813 0.80 KMT2A (0.55) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL14813157 0.80 KMT2A (0.51) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL28560305 0.80 KMT2A (0.46) CYP1A2KMT2AMEN1GAAESR1
SCHEMBL30828333 0.80 CA12 (0.46) CYP1A2KMT2AMEN1GAAALDH1A1
SCHEMBL6942034 0.80 GAA (0.50) CYP1A2KMT2AMEN1GAAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002045-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-01-26 WO disclosed
EP-4122499-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2023-01-25 EP disclosed
EP-1817037-B1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-04-19 US disclosed
US-8101754-B2 e.g., 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-(1-methylcyclopropyl)-pyrimidine hydrochloride; central nervous system disorders; schizophrenia; antidepressant, anxiolytic agent, cognition activator; Parkinson's and Alzheimer's diseases ABBOTT GMBH & CO. KG (DE) 2012-01-24 US disclosed
US-7943779-B2 Process for the preparation of olmesartan medoxomil KRKA (SI) 2011-05-17 US disclosed
US-7183292-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2007-02-27 US disclosed
US-20040254219-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-16 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-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ADRB3, DRD3, ADORA3 CYP1A2 348/4885KMT2A 3677/4885MEN1 2438/4885
US-20040254219-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, ADRA1D CYP1A2 514/4885KMT2A 3243/4885MEN1 1069/4885

“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.