SCHEMBL5396757

SCHEMBL5396757

COc1ccc2c(c1)C(O)(C(=O)O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.52
SIGMAR1 Q99720 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCR5 P32302 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL7967461 1.00 POLA1 (0.52) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL7366006 0.87 POLA1 (0.45) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL7967459 0.85 POLA1 (0.45) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL6580889 0.82 POLA1 (0.55) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL1846867 0.81 POLA1 (0.51) POLA1SIGMAR1NPC1RAB9APOLB
SCHEMBL29587519 0.78 POLA1 (0.51) POLA1SIGMAR1KDM1AMEN1KMT2A
SCHEMBL4984411 0.78 POLA1 (0.51) POLA1SIGMAR1KDM1AMEN1KMT2A
SCHEMBL18487244 0.78 POLA1 (0.46) POLA1SIGMAR1KDM1A
SCHEMBL6580916 0.77 RAB9A (0.43) POLA1NPC1RAB9APOLBMEN1
SCHEMBL6580393 0.77 KDM1A (0.49) SIGMAR1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-7241757-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-07-10 US disclosed
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2004-09-23 US disclosed
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US disclosed
EP-1140820-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6576657-B2 Nitrogen containing heterocyclic compounds useful as anticoagulants ASTRAZENECA AB (SE) 2003-06-10 US disclosed
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-21 US disclosed
EP-1140820-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 EP disclosed
WO-2000035869-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-06-22 WO disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 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-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, TFPI POLA1 3506/4885SIGMAR1 2068/4885NPC1 3833/4885
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 POLA1 2357/4885SIGMAR1 1947/4885NPC1 2739/4885
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 POLA1 2368/4885SIGMAR1 1955/4885NPC1 2989/4885

“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.