SCHEMBL3089841

SCHEMBL3089841

COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(C(=O)O)cc32)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MCL1 Q07820 3/20 0.52
BCL2L1 Q07817 1/20 0.52
CPT1A P50416 8/20 0.50
CPT1B Q92523 8/20 0.50
CPT2 P23786 7/20 0.50
AKR1C3 P42330 1/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TSHR P16473 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45

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
SCHEMBL3082495 0.94 KMT2A (0.50) KMT2AL3MBTL1MCL1BCL2L1CPT1A
SCHEMBL3088262 0.91 L3MBTL1 (0.51) KMT2AL3MBTL1MCL1BCL2L1CPT1A
SCHEMBL15062792 0.87 L3MBTL1 (0.51) KMT2AL3MBTL1MCL1BCL2L1CPT1A
SCHEMBL3088253 0.85 CPT1A (0.55) KMT2AL3MBTL1MCL1BCL2L1CPT1A
SCHEMBL3088413 0.84 MEN1 (0.49) KMT2AL3MBTL1CPT1ACPT1BCPT2
SCHEMBL3091055 0.82 L3MBTL1 (0.48) KMT2AL3MBTL1CPT1ACPT1BCPT2
SCHEMBL15062765 0.80 MEN1 (0.49) KMT2AL3MBTL1CPT1ACPT1BAKR1C3
SCHEMBL3077739 0.79 CYP3A4 (0.58) L3MBTL1TSHR
SCHEMBL3100254 0.78 RIPK1 (0.44) KMT2AL3MBTL1MCL1BCL2L1CPT1A
SCHEMBL3077912 0.78 CYP3A4 (0.57) TSHR

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-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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 (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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B KMT2A 2897/4885L3MBTL1 4344/4885MCL1 4012/4885

“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.