SCHEMBL2448330

SCHEMBL2448330

O=C(O)CC12CCCCC1C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.41
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 7/20 0.37
SCN9A Q15858 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
SCHEMBL7638598 0.86 CYP2C19 (0.47) CYP1A2CYP2C19LMNATSHRALDH1A1
SCHEMBL17316190 0.86 CYP2C19 (0.47) CYP1A2CYP2C19LMNATSHRALDH1A1
SCHEMBL16910204 0.86 CYP2C19 (0.47) CYP1A2CYP2C19LMNATSHRALDH1A1
SCHEMBL12208397 0.82 CYP1A2 (0.33) CYP1A2CYP2C19LMNATSHRSCN9A
SCHEMBL8128760 0.75 KMT2A (0.38) CYP1A2CYP2C19LMNATSHRALDH1A1
SCHEMBL14012881 0.74 SLC6A2 (0.43) CYP1A2CYP2C19LMNATSHRALDH1A1
Hydrochloric Acid SCHEMBL3716032 0.74 CYP2C19 (0.37) CYP1A2CYP2C19LMNATSHRALDH1A1
SCHEMBL15105805 0.74
SCHEMBL15125268 0.74
SCHEMBL16449069 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
WO-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
EP-1109909-B1 GRF ANALOGS WITH INCREASED BIOLOGICAL POTENCY THERATECHNOLOGIES INC (CA) 2005-11-30 EP disclosed
US-20040171534-A1 GRF analogs with increased biological potency THERATECHNOLOGIES, INC. (CA) 2004-09-02 US disclosed
US-6458764-B1 CHIMERIC FATTY BODY-GRF ANALOGS WITH INCREASED BIOLOGICAL POTENCY, THEIR APPLICATION AS ANABOLIC AGENTS AND IN THE DIAGNOSIS AND TREATMENT OF GROWTH HORMONE DEFICIENCIES. THE CHIMERIC FATTY BODY-GRF ANALOGS INCLUDE AN HYDROPHOBIC MOIETY THERATECHNOLOGIES INC. (CA) 2002-10-01 US disclosed
EP-1109909-A2 GRF ANALOGS WITH INCREASED BIOLOGICAL POTENCY THERATECHNOLOGIES INC. (CA) 2001-06-27 EP disclosed
WO-2000014236-A2 GRF ANALOGS WITH INCREASED BIOLOGICAL POTENCY THERATECHNOLOGIES INC. (CA) 2000-03-16 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-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CYP1A2 1349/4885CYP2C19 1191/4885LMNA 2814/4885
US-20040171534-A1 GRF analogs with increased biological potency GHRHR, GHITM, GHSR CYP1A2 3179/4885CYP2C19 3724/4885LMNA 4072/4885

“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.