SCHEMBL21117431

SCHEMBL21117431

CCCCCCCC(CCC)S(=O)(=O)Nc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GRM2 Q14416 1/20 0.35
LIMK2 P53671 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 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
SCHEMBL27934356 0.84 HDAC8 (0.44) ALDH1A1SMN1; SMN2PTGS2
SCHEMBL22778266 0.81 FFAR1 (0.49) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL15946011 0.77 HTR6 (0.45)
SCHEMBL21024666 0.77 KDM4E (0.47) ALDH1A1ESR1KDM4E
SCHEMBL18896303 0.75 HDAC8 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2APTGS2
SCHEMBL21239626 0.74 KEAP1 (0.48) ALDH1A1SMN1; SMN2PKMMEN1KMT2A
SCHEMBL20372960 0.74 BRD4 (0.51) ALDH1A1ESR1SMN1; SMN2KDM4E
SCHEMBL21104554 0.74 ALDH1A1 (0.47) ALDH1A1ESR1SMN1; SMN2PKMMEN1
SCHEMBL19719158 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EGRM2
SCHEMBL9001178 0.74 HDAC8 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ACA1

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-10881666-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (2 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-10881666-B2 Combination pharmaceutical agents as RSV inhibitors SERPINB1, FURIN, HIF1AN ALDH1A1 3562/4885ESR1 4495/4885SMN1; SMN2 709/4885
US-20190192535-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS SERPINB1, FURIN, HIF1AN ALDH1A1 3562/4885ESR1 4495/4885SMN1; SMN2 709/4885

“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.