SCHEMBL21999697

SCHEMBL21999697

COc1c(Cl)cc(C(F)(F)F)cc1S(=O)(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.48
TRPV4 Q9HBA0 1/20 0.39
PTGS2 P35354 1/20 0.38
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
GLP1R P43220 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL28039017 0.80 KDM4E (0.41) ACLYPTGS2LMNASMN1; SMN2ALDH1A1
SCHEMBL6896643 0.78 ALDH1A1 (0.41) TRPV4LMNAALDH1A1MEN1KMT2A
SCHEMBL5783293 0.78 TRPV4 (0.49) ACLYTRPV4LMNAALDH1A1KMT2A
SCHEMBL13855826 0.75 PTGS2 (0.39) ACLYPTGS2LMNASMN1; SMN2ALDH1A1
SCHEMBL185181 0.75 ACLY (0.41) ACLYTRPV4LMNAALDH1A1MEN1
SCHEMBL14201636 0.74 KDM4E (0.38) ACLYPTGS2LMNASMN1; SMN2ALDH1A1
SCHEMBL14613173 0.73 GABRB3 (0.39) ACLYPTGS2LMNAALDH1A1L3MBTL1
SCHEMBL8154080 0.73 CYP1A2 (0.43) ACLYLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL17356396 0.73 GLP1R (0.42) ACLYPTGS2LMNAALDH1A1MEN1
SCHEMBL1036692 0.72 ALPL (0.52) TRPV4SMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885TRPV4 4712/4885PTGS2 4122/4885

“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.