SCHEMBL1715046

SCHEMBL1715046

NOCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.61
AGXT P21549 11/20 0.61
CYP3A4 P08684 2/20 0.50
CETP P11597 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47

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
Hydrochloric Acid SCHEMBL661398 0.98 IDO1 (0.62) IDO1AGXTCYP3A4CETPCHRM2
SCHEMBL2094355 0.82 DYRK1A (0.52) IDO1AGXTCETPCHRM2CHRM1
SCHEMBL2094350 0.82 CARM1 (0.50) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL29786543 0.81 HTR2C (0.52) CETPCHRM2CHRM1CHRM3
SCHEMBL111452 0.81 HTR2C (0.52) CETPCHRM2CHRM1CHRM3
SCHEMBL5009648 0.81 DAO (0.55) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL3375496 0.81 MRGPRX4 (0.62) CETP
Hydrochloric Acid SCHEMBL2714307 0.80 HTR2C (0.51) CETPCHRM2CHRM1CHRM3
SCHEMBL178310 0.79 CHRM2 (0.55) CETPCHRM2CHRM1CHRM3CARM1
SCHEMBL19062249 0.79 CETP (0.53) CETPCHRM2CHRM1CHRM3CARM1

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
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN claimed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
CN-1906155-B Novel hydroxamic acid ester derivant and pharmaceutical use thereof LEO PHARMA AS 2010-06-23 CN disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN 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 (2 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 IDO1 3029/4885AGXT 131/4885CYP3A4 3344/4885
US-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 IDO1 2049/4885AGXT 2786/4885CYP3A4 500/4885

“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.