SCHEMBL13736712

SCHEMBL13736712

Cc1ccc(S(=O)(=O)Oc2c(Br)ccc(NC(=O)OCc3ccccc3)c2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
P2RX7 Q99572 12/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
CASP3 P42574 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL13737995 0.89 P2RX7 (0.48) NPC1RAB9AP2RX7LMNAKMT2A
SCHEMBL13737202 0.75 NPC1 (0.53) NPC1RAB9ALMNAMAPTCASP3
SCHEMBL15514985 0.73 KMT2A (0.45) LMNAKMT2AMAPTCA1CA2
SCHEMBL11380594 0.71 CA1 (0.63) NPC1RAB9AP2RX7LMNAKMT2A
SCHEMBL15233020 0.71 ROCK2 (0.46) NPC1RAB9AP2RX7LMNAMAPT
SCHEMBL15514972 0.71 NPC1 (0.41) NPC1RAB9ALMNACASP3
SCHEMBL13738422 0.71 NPC1 (0.41) NPC1RAB9ALMNACASP3
SCHEMBL10489837 0.70 NPC1 (0.76) NPC1RAB9AMAPTCASP3
SCHEMBL31455313 0.69 NPC1 (0.59) NPC1RAB9ACASP3
SCHEMBL20326798 0.69 NPC1 (0.52) NPC1RAB9AP2RX7LMNACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9561230-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2016-09-08 US disclosed
US-9187494-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2015-11-17 US disclosed
EP-2705036-B1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2015-08-12 EP disclosed
US-20140073623-A1 Tricyclic Sulfonamide Compounds and Methods of Making and Using Same ZAFGEN, INC. (US) 2014-03-13 US disclosed
EP-2705036-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
WO-2012154678-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 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-20140073623-A1 Tricyclic Sulfonamide Compounds and Methods of Making and Using Same DNPEP, METAP2, ANPEP NPC1 2178/4885RAB9A 4404/4885P2RX7 1761/4885
US-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, METAP2, ANPEP NPC1 2178/4885RAB9A 4404/4885P2RX7 1761/4885

“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.