SCHEMBL13211348

SCHEMBL13211348

CS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.51
SLC22A12 Q96S37 1/20 0.48
PGR P06401 1/20 0.48
KIF11 P52732 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL27298275 0.85 KIF11 (0.47) ARKIF11
SCHEMBL30105299 0.83 TRPV4 (0.50) ARSLC22A12PGR
SCHEMBL16379693 0.83 AR (0.49) ARSLC22A12PGRKIF11
SCHEMBL1762353 0.83 TRPV4 (0.50) ARSLC22A12PGR
SCHEMBL17776383 0.83 KIF11 (0.51) ARSLC22A12PGRKIF11CYP2C19
SCHEMBL8488892 0.83 AR (0.51) ARSLC22A12PGRCYP2C19
Hydrochloric Acid SCHEMBL28333364 0.82 AR (0.51) ARSLC22A12PGRCYP2C19
SCHEMBL21335068 0.81 SLC22A12 (0.52) ARSLC22A12PGRCYP2C19
SCHEMBL23877136 0.80 AR (0.51) ARPGRCYP2C19
SCHEMBL10051874 0.78 EPAS1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG 2014-10-16 US disclosed
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG 2014-10-16 US disclosed
US-8791256-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791256-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2013-10-10 US disclosed
US-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2013-10-10 US disclosed
US-8470848-B2 Organic compounds NOVARTIS AG (CH) 2013-06-25 US disclosed
US-8470848-B2 Organic compounds NOVARTIS AG (CH) 2013-06-25 US disclosed
US-8455645-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455645-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20100210610-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-19 US disclosed
US-20100204225-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-12 US disclosed
US-7666878-B2 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2010-02-23 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 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 (6 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-20130267518-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 AR 2899/4885SLC22A12 3218/4885PGR 76/4885
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 AR 2899/4885SLC22A12 3218/4885PGR 76/4885
US-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 AR 651/4885SLC22A12 1323/4885PGR 241/4885
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 AR 672/4885SLC22A12 3038/4885PGR 1277/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 AR 651/4885SLC22A12 1323/4885PGR 241/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 AR 2183/4885SLC22A12 2148/4885PGR 1023/4885

“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.