SCHEMBL22024973

SCHEMBL22024973

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)c(C)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.70
ALDH1A1 P00352 2/20 0.58
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 2/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL22024970 0.83 CYTH2 (0.56) PKMALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL22024972 0.81 PKM (0.69) PKMALDH1A1LMNAMAPK1ALOX15
SCHEMBL22066232 0.79 PKM (0.77) PKMALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL22066259 0.77 PKM (0.40) PKMALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL27884389 0.76 CYP2C9 (0.63) PKMALDH1A1LMNAHTTMEN1
SCHEMBL9365750 0.75 PKM (0.73) PKMALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL15705234 0.75 IDO1 (0.76) PKMALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL7908701 0.73 POLB (0.68) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL7574036 0.73 PKM (0.68) PKMALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL2896693 0.73 CYP2C9 (0.60) PKMALDH1A1LMNAMEN1KMT2A

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-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 EP disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 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-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A PKM 288/4885ALDH1A1 4780/4885LMNA 3498/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A PKM 288/4885ALDH1A1 4780/4885LMNA 3498/4885

“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.