SCHEMBL3679526

SCHEMBL3679526

Cc1cccc(CCc2ccc(S(=O)(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)s2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.33
AKR1C3 P42330 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
TP53 P04637 2/20 0.32
LOX P28300 1/20 0.31
MAPT P10636 1/20 0.30
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3689889 0.91 ALDH1A1 (0.34) ALDH1A1POLBKMT2ALOXMAPT
SCHEMBL3684588 0.90 HTT (0.33) ALDH1A1KMT2AMAPTLMNA
Trifluoroacetic Acid SCHEMBL3679528 0.86 AKR1C3 (0.35) ALDH1A1POLBKMT2AAKR1C3NR3C1
Trifluoroacetic Acid SCHEMBL3679525 0.86 AKR1C3 (0.35) ALDH1A1POLBKMT2AAKR1C3NR3C1
SCHEMBL13409991 0.85 AKR1C3 (0.39) ALDH1A1POLBKMT2AAKR1C3NR3C1
SCHEMBL3682807 0.84 MMP2 (0.36)
SCHEMBL3677505 0.81 MMP9 (0.40)
Trifluoroacetic Acid SCHEMBL3689890 0.77 EEF2K (0.35) ALDH1A1LOXMAPTLMNA
Trifluoroacetic Acid SCHEMBL3689887 0.77 EEF2K (0.35) ALDH1A1LOXMAPTLMNA
SCHEMBL3683027 0.76 MMP9 (0.51)

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 ALDH1A1 236/4885POLB 1534/4885KMT2A 662/4885

“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.