SCHEMBL1941301

SCHEMBL1941301

CCCS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA2 P00918 5/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PLCG1 P19174 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9574391 0.85 THRB (0.50) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9745362 0.85 THRB (0.50) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1939488 0.85 PSIP1 (0.63) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL20323522 0.81 LOX (0.49) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28906881 0.80 CA2 (0.53) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3880988 0.80 PSIP1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3060869 0.80 PSIP1 (0.47) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3882769 0.80 PSIP1 (0.74) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL198253 0.79 PLCG1 (0.61) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL5647594 0.78 PSIP1 (0.46) PSIP1ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
EP-1761529-B3 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2011-06-15 — — EP 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
EP-1963317-A1 USE OF PYRROLO [2 , 3-B]PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN Novartis AG (CH) 2008-09-03 — — EP 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
EP-1761529-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Novartis AG (CH) 2007-03-14 — — EP disclosed
WO-2005123731-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2005-12-29 — — 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 PSIP1 520/4885ALDH1A1 3140/4885CYP3A4 3118/4885
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 PSIP1 520/4885ALDH1A1 3140/4885CYP3A4 3118/4885
US-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 PSIP1 1468/4885ALDH1A1 840/4885CYP3A4 36/4885
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 PSIP1 4871/4885ALDH1A1 1364/4885CYP3A4 4724/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 PSIP1 1468/4885ALDH1A1 840/4885CYP3A4 36/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 PSIP1 1417/4885ALDH1A1 1201/4885CYP3A4 176/4885

“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.

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