SCHEMBL12633834

SCHEMBL12633834

Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 17/20 0.79
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 2/20 0.59
PKLR P30613 1/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL30114544 0.89 PKM (1.00) PKMALDH1A1PKLR
SCHEMBL2591579 0.89 PKM (1.00) PKMALDH1A1PKLR
SCHEMBL2585274 0.84 PKM (1.00) PKMALDH1A1LMNASMN1; SMN2
SCHEMBL28927624 0.81 PKM (0.73) PKMALDH1A1
SCHEMBL2583932 0.80 PKM (0.71) PKMALDH1A1PKLRLMNASMN1; SMN2
SCHEMBL2591204 0.79 PKM (1.00) PKMALDH1A1PKLR
SCHEMBL2592413 0.79 PKM (1.00) PKMALDH1A1PKLR
SCHEMBL30114233 0.79 ALDH1A1 (0.77) PKMALDH1A1
SCHEMBL2587353 0.79 ALDH1A1 (0.77) PKMALDH1A1
SCHEMBL2588694 0.78 PKM (1.00) PKMALDH1A1PKLRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US disclosed
US-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-05 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-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION PREP, HPN, PEPD PKM 2276/4885MAPK1 2579/4885ALDH1A1 3853/4885

“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.