SCHEMBL3686313

SCHEMBL3686313

CN(C)CC(CC(=O)O)NS(=O)(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
PFKFB3 Q16875 1/20 0.49
MMP13 P45452 1/20 0.49
CAPN1 P07384 7/20 0.45
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GHSR Q92847 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
CNKSR1 Q969H4 1/20 0.40

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
SCHEMBL14822899 0.88 PFKFB3 (0.52) F2PFKFB3MMP13CAPN1RXFP1
SCHEMBL13409939 0.86 PFKFB3 (0.50) F2PFKFB3MMP13CAPN1RXFP1
Trifluoroacetic Acid SCHEMBL3686963 0.81 RXFP1 (0.47) F2PFKFB3MMP13CAPN1RXFP1
SCHEMBL3686054 0.81 PFKFB3 (0.48) F2PFKFB3MMP13ALDH1A1
Trifluoroacetic Acid SCHEMBL3683119 0.80 RXFP1 (0.46) F2PFKFB3MMP13CAPN1RXFP1
Trifluoroacetic Acid SCHEMBL3683115 0.80 RXFP1 (0.46) F2PFKFB3MMP13CAPN1RXFP1
SCHEMBL3676461 0.78 SMN1; SMN2 (0.48) ALDH1A1
SCHEMBL3688503 0.76 MMP2 (0.52) MMP13
SCHEMBL7909167 0.76 PFKFB3 (0.56) F2PFKFB3MMP13CAPN1PKM
SCHEMBL6326181 0.75 PFKFB3 (0.51) F2PFKFB3MMP13CAPN1PKM

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-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
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO 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 F2 4647/4885PFKFB3 1127/4885MMP13 1256/4885

“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.