SCHEMBL4169588

SCHEMBL4169588

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.78
ALDH1A1 P00352 2/20 0.78
POLB P06746 1/20 0.78
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
CA3 P07451 2/20 0.67
CA5A P35218 2/20 0.67
CA5B Q9Y2D0 2/20 0.67
CA14 Q9ULX7 2/20 0.67
CA2 P00918 2/20 0.67
CA12 O43570 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
EPHX1 P07099 1/20 0.62
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 1/20 0.35

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
SCHEMBL316649 0.98 MEN1 (0.79) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL1000785 0.93 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL27889238 0.89 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL29982917 0.86 MEN1 (1.00) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL499036 0.84 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL570465 0.80 CA3 (0.91) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL864397 0.80 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL864398 0.80 ALDH1A1 (0.82) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL12936102 0.80 CA3 (1.00) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL10228415 0.80 CA3 (1.00) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090269734-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN SHIZUOKA PREFECTURAL UNIVERSITIES CORPORATION, NATIONAL UNIVERSITY CORPORATION SHIZUOKA 2009-10-29 US disclosed
US-20090181362-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2009-07-16 US disclosed
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
WO-1998034603-A1 USE OF BETULIN AND ANALOGS THEREOF TO TREAT HERPESVIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-13 WO disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 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 (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-20090181362-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN SIGLEC7, SIGLEC9, NEU4 SMN1; SMN2 2957/4885ALDH1A1 4034/4885POLB 3426/4885
US-20090269734-A1 METHOD FOR DETERMINATION OF RECOGNITION SPECIFICITY OF VIRUS FOR RECEPTOR SUGAR CHAIN SIGLEC7, SIGLEC9, NEU4 SMN1; SMN2 3154/4885ALDH1A1 4158/4885POLB 3638/4885

“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.