SCHEMBL5435543

SCHEMBL5435543

NC(=O)C1CCCCC1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.59
POLB P06746 2/20 0.42
AKR1C3 P42330 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA6 P23280 1/20 0.39
OPRK1 P41145 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
TP53 P04637 5/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5431904 0.97 F10 (0.56) F10POLBAKR1C3CA1CA2
SCHEMBL5442382 0.94 F10 (0.53) F10POLBAKR1C3CA1CA2
SCHEMBL5567673 0.78 USP30 (0.51) SMYD3TP53ALDH1A1NPC1HPGD
SCHEMBL4694872 0.76 RAB9A (0.67) F10POLBTP53ALDH1A1NPC1
SCHEMBL5564619 0.75 USP30 (0.51) SMYD3TP53ALDH1A1NPC1MAPK1
SCHEMBL4693401 0.75 RAB9A (0.62) F10POLBTP53ALDH1A1NPC1
SCHEMBL5427156 0.75 NPC1 (0.47) F10POLBTAS1R3TAS1R1TP53
SCHEMBL6916244 0.75 SSTR3 (0.49) TAS1R3TAS1R1NPC1RAB9A
SCHEMBL14490714 0.74 F10 (1.00) F10
SCHEMBL4692038 0.74 RAB9A (0.64) F10POLBTP53ALDH1A1NPC1

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US claimed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD F10 53/4885POLB 2080/4885AKR1C3 2200/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 F10 36/4885POLB 2045/4885AKR1C3 3410/4885

“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.