SCHEMBL15944506

SCHEMBL15944506

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nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
EPHX1 P07099 2/20 0.40
NAAA Q02083 2/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C19 P33261 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL16731581 1.00 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL12255658 1.00 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL15944505 1.00 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL12306247 0.98 CYP19A1 (0.40) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL12306249 0.91 CYP19A1 (0.32) CYP19A1HTTSMN1; SMN2KDM4E
SCHEMBL6445826 0.88 SERPINE1 (0.35) CYP19A1
SCHEMBL18995117 0.84 CYP19A1 (0.35) CYP19A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19500215 0.84
SCHEMBL20051876 0.84 CYP19A1 (0.35) CYP19A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL16840156 0.81 EPHX1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015688-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2017-01-19 US disclosed
US-20170015688-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2017-01-19 US disclosed
US-9480693-B2 Substituted bisphenyl butanoic phosphonic acid derivatives as NEP inhibitors NOVARTIS AG (CH) 2016-11-01 US disclosed
US-20150374726-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2015-12-31 US disclosed
US-9163040-B2 Substituted bisphenyl butanoic phosphonic acid derivatives as NEP inhibitors NOVARTIS AG (CH) 2015-10-20 US disclosed
US-20140228323-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2014-08-14 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 (3 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-20150374726-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS MME, REN, ENPP1 CYP19A1 2507/4885EPHX1 358/4885NAAA 447/4885
US-20170015688-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS MME, REN, ENPP1 CYP19A1 2507/4885EPHX1 358/4885NAAA 447/4885
US-20140228323-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS MME, REN, ENPP1 CYP19A1 2507/4885EPHX1 358/4885NAAA 447/4885

“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.