SCHEMBL13439634

SCHEMBL13439634

CCOC(=O)c1cc(C)nn1C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
ATM Q13315 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1894879 0.79 LMNA (0.52) ALDH1A1L3MBTL1SMN1; SMN2TSHRKDM4E
SCHEMBL1326795 0.79 ATM (0.56) ALDH1A1ATML3MBTL1GAATDP1
SCHEMBL13807471 0.79 ATM (0.56) ALDH1A1ATML3MBTL1GAASMN1; SMN2
SCHEMBL20956386 0.78 SMN1; SMN2 (0.44) ALDH1A1ATML3MBTL1GAASMN1; SMN2
SCHEMBL8122806 0.78 SMN1; SMN2 (0.49) ALDH1A1ATML3MBTL1GAASMN1; SMN2
SCHEMBL6188814 0.78 MAPT (0.52) ALDH1A1SMN1; SMN2TDP1TSHRPOLB
SCHEMBL12086355 0.78 ALDH1A1 (0.49) ALDH1A1ATML3MBTL1GAASMN1; SMN2
SCHEMBL14013805 0.77 ALDH1A1 (0.55) ALDH1A1ATML3MBTL1GAASMN1; SMN2
SCHEMBL552850 0.77 ATM (0.55) ALDH1A1ATML3MBTL1GAASMN1; SMN2
SCHEMBL15428586 0.77 ATM (0.55) ALDH1A1ATML3MBTL1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885ATM 3092/4885L3MBTL1 4624/4885

“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.