SCHEMBL3049138

SCHEMBL3049138

C=CCCCCCC(N)CC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 5/20 0.42
USP2 O75604 3/20 0.42
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
ABCC4 O15439 1/20 0.38
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
CYP2C9 P11712 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL11373754 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL28073409 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL11525734 0.82 ALDH1A1 (0.59) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL9366779 0.82 ALDH1A1 (0.59) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL28932447 0.80 ZDHHC7 (0.49) ALDH1A1LMNAUSP2HPGDRECQL
SCHEMBL10382953 0.80 ZDHHC7 (0.49) ALDH1A1LMNAUSP2HPGDRECQL
SCHEMBL28655439 0.80 ZDHHC7 (0.49) ALDH1A1LMNAUSP2HPGDRECQL
SCHEMBL3889832 0.80 ZDHHC7 (0.49) ALDH1A1LMNAUSP2HPGDRECQL
SCHEMBL28655438 0.80 ZDHHC7 (0.49) ALDH1A1LMNAUSP2HPGDRECQL
Hydrochloric Acid SCHEMBL11833258 0.78 ZDHHC7 (0.47) ALDH1A1LMNAUSP2HPGDRECQL

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
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 US disclosed
EP-1713822-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 EP disclosed
WO-2005073216-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 ALDH1A1 4288/4885LMNA 3236/4885MAPT 3475/4885
US-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 ALDH1A1 3955/4885LMNA 4055/4885MAPT 3878/4885

“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.