SCHEMBL499036

SCHEMBL499036

[CH2]CCNC(=O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CA3 P07451 2/20 0.56
CA5A P35218 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CA2 P00918 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
EPHX1 P07099 1/20 0.52
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
PGK1 P00558 1/20 0.36

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
SCHEMBL1000785 0.86 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4169588 0.84 SMN1; SMN2 (0.78) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL316649 0.82 MEN1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1272472 0.79
SCHEMBL27889238 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL67884 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL865063 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10231803 0.77 CA3 (0.86) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL733643 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US claimed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
CN-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 CN claimed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US claimed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US claimed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US claimed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US claimed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US claimed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US claimed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP claimed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP claimed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO claimed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP claimed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US claimed
EP-0055099-B1 PENICILLIN DERIVATIVES ICI PHARMA (FR) 1984-10-24 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
EP-0055099-A1 Penicillin derivatives ICI PHARMA (FR) 1982-06-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 1625/4885SMN1; SMN2 4034/4885POLB 1716/4885
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE ALDH1A1 587/4885SMN1; SMN2 1477/4885POLB 1750/4885
US-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP ALDH1A1 1991/4885SMN1; SMN2 3254/4885POLB 3678/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 ALDH1A1 1056/4885SMN1; SMN2 3337/4885POLB 1943/4885

“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.