Sugi Predict

Sugi Predict / Compounds / SCHEMBL3866985

SCHEMBL3866985

SCHEMBL3866985

CC(C)(C)S(=O)(=O)c1ccc(NC(=O)CCCc2ccc(B(O)O)cc2)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ ABCC9 O60706 1/20 0.39
▸ ABCC8 Q09428 1/20 0.39
▸ KCNJ11 Q14654 1/20 0.39
▸ KCNJ8 Q15842 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36

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
SCHEMBL3860624 0.89 HDAC3 (0.40) NPC1RAB9AABCC9ABCC8KCNJ11
SCHEMBL3866267 0.88 MEN1 (0.43) NPC1RAB9AABCC9ABCC8KCNJ11
SCHEMBL13631537 0.88 TRPV1 (0.39) NPC1RAB9AABCC9ABCC8KCNJ11
SCHEMBL3860978 0.87 LMNA (0.40) NPC1RAB9AABCC9ABCC8KCNJ11
SCHEMBL13683258 0.81 TRPV1 (0.41) NPC1RAB9APOLBTRPV1HDAC3
SCHEMBL14418528 0.80 TRPV1 (0.40) NPC1RAB9APOLBTRPV1HDAC3
SCHEMBL3865524 0.80 NPC1 (0.36) NPC1RAB9AABCC9ABCC8KCNJ11
SCHEMBL3858822 0.77 ALDH1A1 (0.37) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL3857627 0.77 MEN1 (0.48) NPC1RAB9APOLBHDAC3HDAC4
SCHEMBL13631455 0.76 HDAC1 (0.42) NPC1RAB9APOLBTRPV1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 — — EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 — — US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 — — US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 — — US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 — — US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 — — 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 NPC1 3227/4885RAB9A 572/4885ABCC9 806/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 NPC1 3227/4885RAB9A 572/4885ABCC9 806/4885

“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.