SCHEMBL2899883

SCHEMBL2899883

CC1=C(CC(=O)O)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.71
PKM P14618 1/20 0.52
PKLR P30613 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
AKR1C3 P42330 1/20 0.49
NLRP3 Q96P20 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ADRA2A P08913 1/20 0.47
BRD4 O60885 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL2909209 0.89 HTR6 (0.73) HTR6PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL10326743 0.87 HTR6 (0.76) HTR6PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL2907151 0.87 HTR6 (0.64) HTR6PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL2900833 0.87 HTR6 (0.78) HTR6PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL10326883 0.84 HTR6 (0.72) HTR6PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL2906939 0.83 HTR6 (1.00) HTR6PKMPKLRSMN1; SMN2LMNA
SCHEMBL13297277 0.82 HTR6 (0.68) HTR6PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL2899919 0.81 HTR6 (0.71) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL2905648 0.81 HTR6 (0.72) HTR6PKMPKLRSMN1; SMN2LMNA
SCHEMBL27727366 0.80 HTR6 (0.61) HTR6PKMPKLRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US claimed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US claimed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
EP-2202222-A2 Indene derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-06-30 EP disclosed
EP-2202222-A2 Indene derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-06-30 EP disclosed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
EP-1960343-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-08-27 EP disclosed
WO-2007054257-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-18 WO disclosed
WO-2007054257-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-18 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-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR1A HTR6 1/4885PKM 1938/4885PKLR 2566/4885

“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.