SCHEMBL13150992

SCHEMBL13150992

CCNCc1ccc(B(O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.61
LIPG Q9Y5X9 7/20 0.61
CA2 P00918 2/20 0.52
CA1 P00915 1/20 0.52
TRPV1 Q8NER1 6/20 0.48
MGLL Q99685 1/20 0.48
F11 P03951 1/20 0.47
LMNA P02545 1/20 0.39
ENPP2 Q13822 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
SCHEMBL3979565 0.84 LPL (0.57) LPLLIPGCA2CA1TRPV1
SCHEMBL9180552 0.82 LMNA (0.52) LMNA
SCHEMBL6356134 0.79 TRPV1 (0.58) LPLLIPGCA2CA1TRPV1
SCHEMBL6351213 0.79 LPL (0.53) LPLLIPGCA2CA1TRPV1
SCHEMBL3731326 0.78 LPL (0.58) LPLLIPGCA2CA1TRPV1
SCHEMBL330333 0.76 LPL (0.45) LPLLIPGCA2CA1TRPV1
SCHEMBL19272703 0.76 LPL (0.46) LPLLIPGCA2CA1TRPV1
SCHEMBL257735 0.76 LPL (1.00) LPLLIPGCA2CA1TRPV1
SCHEMBL12961019 0.76 LMNA (0.43) LMNA
SCHEMBL1039696 0.76 ALDH1A1 (0.53) CA2CA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA SUBSIDIARY CORP. 2016-05-19 US disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 US disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 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 (5 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-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 LPL 4214/4885LIPG 4244/4885CA2 4058/4885
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CUTA, CYP19A1, KAT2A LPL 1855/4885LIPG 2720/4885CA2 3115/4885
US-20160136137-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION CUTA, CYP17A1, HSD17B11 LPL 1311/4885LIPG 3555/4885CA2 4125/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI LPL 3740/4885LIPG 4099/4885CA2 4057/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 LPL 4214/4885LIPG 4244/4885CA2 4058/4885

“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.