SCHEMBL2953994

SCHEMBL2953994

Cc1ccc(S(=O)(=O)N2C(C(=O)O)CC3CCCC32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MMP2 P08253 1/20 0.44
ALDH1A1 P00352 8/20 0.44
LMNA P02545 2/20 0.44
AKR1C3 P42330 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43

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
SCHEMBL3148192 0.97 ACHE (0.50) ACHEMEN1KMT2APOLBTSHR
SCHEMBL8320723 0.90 PSEN1 (0.43) ACHEMEN1KMT2APOLBMMP2
SCHEMBL2964063 0.90 PSEN1 (0.43) ACHEMEN1KMT2APOLBMMP2
SCHEMBL8319711 0.87 ALDH1A1 (0.58) MEN1KMT2APOLBTSHRNPC1
SCHEMBL2969335 0.87 ALDH1A1 (0.58) MEN1KMT2APOLBTSHRNPC1
SCHEMBL8320725 0.87 EPHX2 (0.42) ACHEALDH1A1LMNAAKR1C3L3MBTL1
SCHEMBL8320747 0.87 TDP1 (0.41) ACHEMEN1KMT2APOLBMMP2
SCHEMBL8327403 0.87 TDP1 (0.41) ACHEPOLBALDH1A1LMNAL3MBTL1
SCHEMBL2969395 0.87 TDP1 (0.41) ACHEMEN1KMT2APOLBMMP2
SCHEMBL8326043 0.86 ACHE (0.56) ACHEALDH1A1LMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-09 US claimed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-09 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-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 ACHE 4006/4885MEN1 4466/4885KMT2A 2764/4885

“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.