SCHEMBL2968210

SCHEMBL2968210

COc1cc2c(cc1S(=O)(=O)Nc1nnc(C(C)C)s1)C[CH]C2C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 10/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
G6PD P11413 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 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
SCHEMBL2962995 0.85 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2960589 0.81 ALDH1A1 (0.49) LMNAALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2968217 0.79 ALDH1A1 (0.50) LMNAALDH1A1HSD17B10KDM4ENPC1
SCHEMBL5397717 0.72 ALDH1A1 (0.57) LMNAALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL9427620 0.70 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL1970540 0.67 ALDH1A1 (0.41) LMNAALDH1A1HSD17B10NPC1RAB9A
SCHEMBL2962997 0.66 ALDH1A1 (0.44) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL294581 0.65 LMNA (0.40) LMNAALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL10016387 0.64 RAB9A (0.73) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL15212810 0.64 ALDH1A1 (0.54) LMNAALDH1A1HSD17B10SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772257-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2010-08-10 US disclosed
US-20100022603-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2010-01-28 US disclosed
US-7612104-B2 Bicyclic aryl-sulfonic acid [1,3,4]-thiadiazol-2-yl-amides, processes for their preparation, pharmaceutical compositions and methods for their use SANOFI-AVENTIS (FR) 2009-11-03 US disclosed
US-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
EP-1937675-A2 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039174-A2 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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 (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-20080293780-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PPARG, PPARA, PPARD LMNA 2553/4885ALDH1A1 1019/4885HSD17B10 617/4885
US-20100022603-A1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PPARG, PPARA, PPARD LMNA 2614/4885ALDH1A1 1072/4885HSD17B10 622/4885

“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.