SCHEMBL6174937

SCHEMBL6174937

CC(C)C(Cl)[C@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.62
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 2/20 0.41
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.36
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ENPEP Q07075 2/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32

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
SCHEMBL6174935 1.00 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1LMNA
Valine SCHEMBL6267142 0.81 SLC7A5 (0.83) SLC7A5SLC1A3SLC1A2SLC1A1LMNA
Valine SCHEMBL1933771 0.79 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL6946495 0.78
Valine SCHEMBL482773 0.78 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1LMNA
Valine SCHEMBL27571970 0.78 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1LMNA
Valine SCHEMBL15602719 0.78 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL2485612 0.78
Valine SCHEMBL20840066 0.78 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL5283278 0.78 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2SLC1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939565-B2 Protease inhibitors of the coagulation cascade isolated from Dysidea sponges PHARMACIA CORPORATION (US) 2005-09-06 US disclosed
EP-1465866-A4 PROTEASE INHIBITORS OF THE COAGULATION CASCADE ISOLATED FROM DYSIDEA SPONGES PHARMACIA CORP (US) 2005-01-26 EP disclosed
EP-1465866-A2 PROTEASE INHIBITORS OF THE COAGULATION CASCADE ISOLATED FROM DYSIDEA SPONGES Pharmacia Corporation (US) 2004-10-13 EP disclosed
US-20040147456-A1 Protease inhibitors of the coagulation cascade isolated from Dysidea sponges PHARMACIA CORPORATION 2004-07-29 US disclosed
US-6716869-B2 N-(2-(1-AMIDINOPYRROL-3-YL)ETHYL)-5,6-DIHYDROXY-1-(2-(2-METHOX Y-3-SULFATOPROPIONYLAMINO)-3-CHLORO-4-METHYLVALEROYL)INDOLE-2-CARBOXAMIDE PHARMACIA CORPORATION 2004-04-06 US disclosed
US-20030158248-A1 Protease inhibitors of the coagulation cascade isolated from dysidea sponges PHARMACIA CORPORATION 2003-08-21 US disclosed
WO-2003051831-A2 PROTEASE INHIBITORS OF THE COAGULATION CASCADE ISOLATED FROM DYSIDEA SPONGES PHARMACIA CORPORATION (US) 2003-06-26 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-20040147456-A1 Protease inhibitors of the coagulation cascade isolated from Dysidea sponges TFPI, TFPI2, HABP2 SLC7A5 4648/4885SLC1A3 4846/4885SLC1A2 4870/4885
US-20030158248-A1 Protease inhibitors of the coagulation cascade isolated from dysidea sponges TFPI, TFPI2, HABP2 SLC7A5 4648/4885SLC1A3 4846/4885SLC1A2 4870/4885

“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.