SCHEMBL3087962

SCHEMBL3087962

COc1cc(C)c(S(=O)(=O)N2CCc3onc(C(=O)O)c3C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 2/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
AKR1C3 P42330 3/20 0.37
TSHR P16473 1/20 0.36
CD4 P01730 2/20 0.36
ATM Q13315 1/20 0.36
HSP90AA1 P07900 3/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL3092269 0.88 HSP90AA1 (0.49) ALDH1A1KDM4ELMNARAB9AMAPT
SCHEMBL3096381 0.87 EPHX2 (0.39) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL15062759 0.86 CHRM3 (0.38) ALDH1A1KDM4ELMNAMAPTAKR1C3
SCHEMBL4259737 0.83 PKM (0.48) ALDH1A1KDM4ELMNARAB9AMAPT
SCHEMBL3102323 0.79 CYP3A4 (0.50) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL4268544 0.77 CD4 (0.45) ALDH1A1POLBGAAAKR1C3CD4
SCHEMBL3077270 0.76 HSP90AA1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL4264547 0.75 KMT2A (0.48) ALDH1A1RAB9ANPC1GAAAKR1C3
SCHEMBL3096000 0.74 AKR1C3 (0.49) ALDH1A1RAB9ASMN1; SMN2POLBAKR1C3
SCHEMBL15062713 0.73 EPHX2 (0.38) ALDH1A1AKR1C3

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 ALDH1A1 1303/4885KDM4E 3183/4885LMNA 553/4885

“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.