SCHEMBL2511176

SCHEMBL2511176

CCOC(=O)C(C(=O)c1ccc(C)cc1)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.44
▸ CYP2C19 P33261 4/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL13228083 0.87 MMP8 (0.41) MMP8CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL7092555 0.87 MMP8 (0.59) MMP8CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL13228085 0.87 ALDH1A1 (0.47) CYP2C19CYP3A4CYP1A2CYP2C9TDP1
SCHEMBL1491141 0.86 MMP8 (0.53) MMP8CYP2C19CYP1A2CYP2C9TDP1
SCHEMBL13228057 0.85 MMP8 (0.47) MMP8CYP3A4CYP1A2TDP1L3MBTL1
SCHEMBL13228087 0.84 CES2 (0.47) CYP2C19CYP3A4CYP1A2CYP2C9ALDH1A1
SCHEMBL13228110 0.82 NPC1 (0.44) MMP8CYP2D6POLBRAB9AMEN1
SCHEMBL8200333 0.81 MMP8 (0.55) MMP8TDP1ALDH1A1MAPTPOLB
SCHEMBL13228101 0.81 CES2 (0.46) MMP8TDP1L3MBTL1ALDH1A1TP53
SCHEMBL13228066 0.81 SLC6A3 (0.47) L3MBTL1ALDH1A1MAPTHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2020-12-10 — — US disclosed
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2020-10-06 — — US disclosed
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-08-15 — — US disclosed
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-11-27 — — US disclosed
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. 2017-03-02 — — US disclosed
EP-2370413-B1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-08-05 — — EP disclosed
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2015-07-09 — — US disclosed
US-8940891-B2 Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-06 — — 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 (7 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-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators PTGIR, PTGIS, TBXA2R MMP8 1102/4885CYP2C19 299/4885CYP3A4 1058/4885
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 MMP8 831/4885CYP2C19 191/4885CYP3A4 1060/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 MMP8 427/4885CYP2C19 345/4885CYP3A4 1638/4885
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 MMP8 831/4885CYP2C19 191/4885CYP3A4 1060/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 MMP8 430/4885CYP2C19 346/4885CYP3A4 1649/4885
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 MMP8 427/4885CYP2C19 345/4885CYP3A4 1638/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R MMP8 1102/4885CYP2C19 299/4885CYP3A4 1058/4885

“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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