SCHEMBL14743015

SCHEMBL14743015

CCCCC(O)(O)C(O)(S)S

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
FDPS P14324 10/20 0.34
GGPS1 O95749 6/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL14743017 0.85 FDPS (0.38) FDPSALDH1A1
SCHEMBL14742641 0.83 ESR1 (0.37) ESR1ESR2FDPSGGPS1ALDH1A1
SCHEMBL14743432 0.83 ESR1 (0.37) ESR1ESR2FDPSGGPS1ALDH1A1
SCHEMBL14743039 0.78
SCHEMBL2349836 0.77 ESR1 (0.39) ESR1ESR2FDPSGGPS1ALDH1A1
SCHEMBL525776 0.77
SCHEMBL3801327 0.77
SCHEMBL14844470 0.74 ESR1 (0.38) ESR1ESR2FDPSGGPS1ALDH1A1
SCHEMBL4671665 0.74 ESR1 (0.38) ESR1ESR2FDPSGGPS1ALDH1A1
SCHEMBL21086309 0.74 ESR1 (0.38) ESR1ESR2FDPSGGPS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751876-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension NOVARTIS AG (CH) 2017-09-05 US disclosed
US-9676907-B2 Methods and systems of graft polymerization on a functionalized substrate ASPEN RESEARCH CORPORATION (US) 2017-06-13 US disclosed
US-20160168331-A1 METHODS AND SYSTEMS OF GRAFT POLYMERIZATION ON A FUNCTIONALIZED SUBSTRATE JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-16 US disclosed
EP-2751108-B1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-9267009-B2 Methods and systems of graft polymerization on a functionalized substrate ASPEN RESEARCH CORPORATION (US) 2016-02-23 US disclosed
US-9074056-B2 Methods and systems to prepare functionalized substrate from disulfide bond-containing material ASPEN RESEARCH CORPORATION (US) 2015-07-07 US disclosed
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20140343188-A1 METHODS AND SYSTEMS TO PREPARE FUNCTIONALIZED SUBSTRATE FROM DISULFIDE BOND-CONTAINING MATERIAL ASPEN RESEARCH CORPORATION (US) 2014-11-20 US disclosed
US-8883819-B2 Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension IRM LLC (BM) 2014-11-11 US disclosed
US-20140296366-A1 METHODS AND SYSTEMS OF GRAFT POLYMERIZATION ON A FUNCTIONALIZED SUBSTRATE ASPEN RESEARCH CORPORATION (US) 2014-10-02 US disclosed
EP-2751108-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION Novartis AG (CH) 2014-07-09 EP disclosed
US-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-12 US disclosed
WO-2013030802-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2013-03-07 WO disclosed
WO-2013033614-A1 METHODS AND SYSTEMS TO PREPARE FUNCTIONALIZED SUBSTRATE FROM DISULFIDE BOND-CONTAINING MATERIAL ASPEN RESEARCH CORPORATION (US) 2013-03-07 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-20130237519-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB ESR1 3148/4885ESR2 672/4885FDPS 3644/4885
US-20150025059-A1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION PDGFA, PDGFRA, PDGFRB ESR1 3148/4885ESR2 672/4885FDPS 3644/4885

“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.