SCHEMBL3082544

SCHEMBL3082544

COc1cc(C)c(S(=O)(=O)N2CCn3cnc(C(=O)O)c3C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
AKR1C3 P42330 3/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL3095457 0.90 POLB (0.41) KMT2AMEN1MAPK1PKMSMN1; SMN2
SCHEMBL3724021 0.85 KMT2A (0.36) KMT2AMEN1MAPK1PKMSMN1; SMN2
SCHEMBL3096506 0.79 CYP3A4 (0.52) KMT2AMAPK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL3088274 0.76 KMT2A (0.37) KMT2AMEN1MAPK1PKMSMN1; SMN2
SCHEMBL3087962 0.72 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL15062702 0.72 KMT2A (0.36) KMT2AMEN1MAPK1PKMSMN1; SMN2
SCHEMBL3088638 0.69 KMT2A (0.44) KMT2AMEN1MAPK1ALDH1A1KDM4E
SCHEMBL14411560 0.68 PKM (0.59) KMT2AMEN1PKMSMN1; SMN2ALDH1A1
SCHEMBL3100375 0.68 AKR1C3 (0.64) PKMAKR1C3
SCHEMBL3096000 0.67 AKR1C3 (0.49) PKMSMN1; SMN2ALDH1A1L3MBTL1NPSR1

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 9 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
EP-2393812-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP 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
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO 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 2897/4885MEN1 1130/4885MAPK1 1504/4885

“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.