SCHEMBL5648347

SCHEMBL5648347

Cc1nc([C@@H]2CCCN2C(=O)O)sc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 15/20 0.42
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
CPT1B Q92523 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5648354 1.00 AADAT (0.42) AADATCPT2CPT1ACPT1BNPC1
SCHEMBL20489413 0.78 AADAT (0.52) AADATCPT2CPT1ACPT1B
SCHEMBL20489411 0.78 AADAT (0.52) AADATCPT2CPT1ACPT1B
SCHEMBL475512 0.77 TRPV1 (0.46) CPT2CPT1ACPT1BRAB9ASMN1; SMN2
SCHEMBL5645605 0.77 TRPV1 (0.46) CPT2CPT1ACPT1BRAB9ASMN1; SMN2
SCHEMBL20489459 0.74 AADAT (0.73) AADATCPT2CPT1ACPT1B
SCHEMBL20489456 0.74 AADAT (0.73) AADATCPT2CPT1ACPT1B
SCHEMBL22705489 0.74 LMNA (0.47) AADATCPT2CPT1ASMN1; SMN2
SCHEMBL27798798 0.72 CPT1A (0.47) CPT2CPT1ACPT1BRAB9ASMN1; SMN2
SCHEMBL2724717 0.72 NPC1 (0.37) AADATCPT2CPT1ACPT1BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 AADAT 3761/4885CPT2 4011/4885CPT1A 2374/4885

“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.