SCHEMBL6580916

SCHEMBL6580916

COc1ccc2c(c1)C(O)(C(=O)O)CCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
AKR1B1 P15121 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
MAPT P10636 3/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
POLA1 P09884 2/20 0.39
APP P05067 2/20 0.39

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
SCHEMBL6578320 0.88 SMN1; SMN2 (0.42) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL6578141 0.81 AKR1B1 (0.44) RAB9ANPC1SMN1; SMN2TP53AKR1B1
SCHEMBL20480649 0.79 NPC1 (0.40) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL8793923 0.79 AKR1B1 (0.46) RAB9ANPC1PKMSMN1; SMN2TP53
SCHEMBL6605548 0.78 MAP3K14 (0.49) RAB9ANPC1AKR1B1RARARARB
SCHEMBL6605552 0.78 MAP3K14 (0.49) RAB9ANPC1AKR1B1RARARARB
SCHEMBL6578015 0.78 AKR1B1 (0.64) AKR1B1MAPTCTNNB1
SCHEMBL5399703 0.78 MAP3K14 (0.49) RAB9ANPC1AKR1B1RARARARB
SCHEMBL5396757 0.77 POLA1 (0.52) RAB9ANPC1MEN1KMT2APOLA1
SCHEMBL7967461 0.77 POLA1 (0.52) RAB9ANPC1MEN1KMT2APOLA1

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-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 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
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-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 (1 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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 RAB9A 708/4885NPC1 2989/4885PKM 4107/4885

“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.