SCHEMBL12018596

SCHEMBL12018596

COc1cc(P(C)(C)=O)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
GRM4 Q14833 1/20 0.38
INSR P06213 5/20 0.38
IGF1R P08069 5/20 0.38
ALK Q9UM73 5/20 0.38
POLQ O75417 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
KMO O15229 1/20 0.35
ACHE P22303 1/20 0.34
DHFR P00374 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL1491772 0.78 ALDH1A1 (0.53) INSRIGF1RALKCYP3A4MEN1
SCHEMBL25033630 0.78 MAOB (0.53) CYP1A2HPGDMEN1KMT2A
SCHEMBL31270438 0.78 MAOB (0.53) CYP1A2HPGDMEN1KMT2A
SCHEMBL29130988 0.78 MAPT (0.45) GRM4INSRIGF1RALKPOLQ
SCHEMBL11919039 0.77 TAAR1 (0.42) INSRIGF1RALKCYP3A4
Hydrochloric Acid SCHEMBL11900704 0.77 ALDH1A1 (0.53) INSRIGF1RALKCYP3A4MEN1
SCHEMBL19288532 0.77 CCNT1 (0.35) TAS1R3TAS1R1GRM4ACHEMEN1
SCHEMBL25734359 0.77 CCNT1 (0.44) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL13619904 0.76 HPGD (0.42) TAS1R3TAS1R1HPGDMEN1KMT2A
SCHEMBL30487115 0.76 HPGD (0.42) TAS1R3TAS1R1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8951993-B2 Phosphorus containing compounds as protein kinase inhibitors JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2015-02-10 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2012-08-30 US disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 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 (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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 TAS1R3 3625/4885TAS1R1 3760/4885GRM4 2642/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 TAS1R3 3733/4885TAS1R1 3546/4885GRM4 2697/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 TAS1R3 3852/4885TAS1R1 3942/4885GRM4 2527/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 TAS1R3 4383/4885TAS1R1 4508/4885GRM4 2014/4885
US-20120220551-A1 PHOSPHORUS CONTAINING COMPOUNDS AS PROTEIN KINASE INHIBITORS PPM1A, PPM1G, PPM1B TAS1R3 4685/4885TAS1R1 4368/4885GRM4 3233/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 TAS1R3 3625/4885TAS1R1 3760/4885GRM4 2642/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 TAS1R3 3625/4885TAS1R1 3760/4885GRM4 2642/4885

“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.