SCHEMBL6580889

SCHEMBL6580889

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 4/20 0.55
SIGMAR1 Q99720 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
KDM1A O60341 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL19469566 0.91 POLA1 (0.54) POLA1SMN1; SMN2CYP3A4CYP2C9TSHR
SCHEMBL19469620 0.91 POLA1 (0.54) POLA1SMN1; SMN2CYP3A4CYP2C9TSHR
SCHEMBL19469524 0.91 POLA1 (0.54) POLA1SMN1; SMN2CYP3A4CYP2C9TSHR
SCHEMBL7172371 0.87 SMN1; SMN2 (0.56) POLA1SIGMAR1SMN1; SMN2NPC1POLB
SCHEMBL28760516 0.85 POLA1 (0.46) POLA1SIGMAR1SMN1; SMN2NPC1POLB
SCHEMBL5396757 0.82 POLA1 (0.52) POLA1SIGMAR1NPC1POLBRAB9A
SCHEMBL7967461 0.82 POLA1 (0.52) POLA1SIGMAR1NPC1POLBRAB9A
SCHEMBL1846867 0.81 POLA1 (0.51) POLA1SIGMAR1NPC1POLBRAB9A
SCHEMBL19469571 0.81 SMN1; SMN2 (0.56) POLA1SMN1; SMN2KDM1ACYP3A4CYP2C19
SCHEMBL19520534 0.81 SMN1; SMN2 (0.56) POLA1SMN1; SMN2KDM1ACYP3A4CYP2C19

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 POLA1 2368/4885SIGMAR1 1955/4885SMN1; SMN2 4453/4885

“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.