SCHEMBL708402

SCHEMBL708402

COC(=O)c1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.69
SLC6A4 P31645 3/20 0.69
SLC6A2 P23975 1/20 0.60
EGFR P00533 1/20 0.51
ROCK2 O75116 1/20 0.50
CSF1R P07333 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
ROCK1 Q13464 1/20 0.50
SLK Q9H2G2 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.49
CYP2C8 P10632 1/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48

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
SCHEMBL68818 0.90 SLC6A3 (0.73) SLC6A3SLC6A4SLC6A2EGFRROCK2
SCHEMBL31318316 0.88 SLC6A3 (0.78) SLC6A3SLC6A4SLC6A2EGFRROCK2
SCHEMBL1775832 0.88 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL5500070 0.87 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2EGFRROCK2
SCHEMBL6713222 0.87 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2EGFRLTB4R2
Bicarbonate SCHEMBL27467504 0.86 SLC6A3 (0.72) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
Phosphine SCHEMBL11469830 0.86 SLC6A3 (0.72) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL5700615 0.86 SLC6A3 (0.72) SLC6A3SLC6A4SLC6A2EGFRROCK2
SCHEMBL27843639 0.84 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL6803271 0.84 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2EGFRROCK2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
WO-2013058258-A1 BICYCLIC HETEROCYCLIC COMPOUND アステラス製薬株式会社 (JP) 2013-04-25 WO disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 SLC6A3 2752/4885SLC6A4 2592/4885SLC6A2 3146/4885
US-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 SLC6A3 2791/4885SLC6A4 3408/4885SLC6A2 1126/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 SLC6A3 2791/4885SLC6A4 3408/4885SLC6A2 1126/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR SLC6A3 3132/4885SLC6A4 3702/4885SLC6A2 4446/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 SLC6A3 4739/4885SLC6A4 4740/4885SLC6A2 4731/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 SLC6A3 2791/4885SLC6A4 3408/4885SLC6A2 1126/4885

“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.