SCHEMBL2925890

SCHEMBL2925890

COc1ccc2c(c1)C[CH]C(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL2 P10415 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
IDO1 P14902 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL21950002 0.75 MAPT (0.55) NPC1MAPTRAB9ASMN1; SMN2HTR2A
SCHEMBL18322062 0.71 KCNH2 (0.42) PPIBKDM4ENPC1ALDH1A1GAA
SCHEMBL30237270 0.71 KCNH2 (0.42) PPIBKDM4ENPC1ALDH1A1GAA
SCHEMBL4460348 0.70 SMN1; SMN2 (0.48) PPIBKDM4ENPC1ALDH1A1GAA
Hydrochloric Acid SCHEMBL30236593 0.70 KCNH2 (0.41) PPIBKDM4ENPC1ALDH1A1GAA
SCHEMBL409751 0.70 MAOA (0.38) ALDH1A1GAASMN1; SMN2SIGMAR1HTR2A
SCHEMBL2009830 0.69 HIF1A (0.52) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL31371794 0.68 TSHR (0.52) PPIBKDM4EALDH1A1ALOX12SMN1; SMN2
SCHEMBL30396392 0.68 DRD2 (0.50) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL7028269 0.68 KDM4E (0.45) PPIBKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 EP claimed
EP-1373234-B1 UROKINASE INHIBITORS WILEX AG (DE) 2008-02-13 EP claimed
US-6861435-B2 Urokinase inhibitors PENTAPHARM AG (CH) 2005-03-01 US claimed
US-20040110831-A1 Urokinase inhibitors WILEX AG (DE) 2004-06-10 US claimed
EP-1373234-A2 UROKINASE INHIBITORS Pentapharm AG (CH) 2004-01-02 EP claimed
WO-2002074756-A2 UROKINASE INHIBITORS PENTAPHARM AG (CH) 2002-09-26 WO claimed
US-9089532-B2 Stable dosage form of phenylalanine derivatives WILEX AG (DE) 2015-07-28 US disclosed
EP-1799265-B1 STABLE DOSING FORM OF PHENYLALANINE DERIVATIVES WILEX AG (DE) 2010-09-08 EP disclosed
EP-1511721-B1 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2009-07-01 EP disclosed
US-7538216-B2 Guanidino phenylalanin compounds used as urokinase inhibitors WILEX AG (DE) 2009-05-26 US disclosed
US-7342018-B2 Urokinase inhibitors and uses thereof WILEX AG (DE) 2008-03-11 US disclosed
EP-1373234-B1 UROKINASE INHIBITORS WILEX AG (DE) 2008-02-13 EP disclosed
US-20070244127-A1 Stable Dosage Form of Phenylalanine Derivatives WILEX AG (DE) 2007-10-18 US disclosed
WO-2003103644-A2 GUANIDINO PHENYLALANIN COMPOUNDS USED AS UROKINASE INHIBITORS WILEX AG (DE) 2003-12-18 WO disclosed
US-6624169-B1 3-amidinophenylalanine as urokinase inhibitors for treating malignant tumors and the formation of metastases targeting lymphocytes and for treating disorders of the lymphatic tissue, in particular lymphomas. WILEX BIOTECHNOLOGY GMBH (DE) 2003-09-23 US disclosed
US-20030013723-A1 Antitumor agents WILEX AG 2003-01-16 US disclosed
EP-1264828-A1 New inhibitor of urokinase Wilex AG (DE) 2002-12-11 EP disclosed
WO-2002074756-A2 UROKINASE INHIBITORS PENTAPHARM AG (CH) 2002-09-26 WO disclosed
EP-1098651-A2 NOVEL UROKINASE INHIBITORS Wilex Biotechnology GmbH (DE) 2001-05-16 EP disclosed
WO-2000004954-A2 NOVEL UROKINASE INHIBITORS WILEX BIOTECHNOLOGY GMBH (DE) 2000-02-03 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 (3 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-20070244127-A1 Stable Dosage Form of Phenylalanine Derivatives FAP, PAH, PEPD PPIB 602/4885KDM4E 1455/4885NPC1 3346/4885
US-20030013723-A1 Antitumor agents DNPEP, PLAU, ENPEP PPIB 3277/4885KDM4E 3747/4885NPC1 4231/4885
US-20040110831-A1 Urokinase inhibitors RNASE1, PLAUR, PLAU PPIB 3696/4885KDM4E 4244/4885NPC1 3548/4885

“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.