SCHEMBL6169978

SCHEMBL6169978

CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)c(NC(=O)C2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP2 Q8WXD0 1/20 0.51
JAK2 O60674 4/20 0.43
HDAC1 Q13547 4/20 0.43
F10 P00742 12/20 0.43
TRPV1 Q8NER1 1/20 0.42
PIP4K2A P48426 1/20 0.42
PIP4K2B P78356 1/20 0.42
HDAC3 O15379 1/20 0.39
NCOR1 O75376 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F2 P00734 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
SCHEMBL6170463 0.94 RXFP2 (0.52) RXFP2JAK2HDAC1F10TRPV1
SCHEMBL6172046 0.90 RXFP2 (0.54) RXFP2F10TRPV1F2
SCHEMBL6169142 0.86 RXFP2 (0.38) RXFP2F10PIP4K2APIP4K2B
SCHEMBL6168414 0.86 RXFP2 (0.69) RXFP2F10TRPV1F2
SCHEMBL7369526 0.84 F10 (0.41) JAK2HDAC1F10F2
SCHEMBL6170090 0.81 F10 (0.41) JAK2HDAC1F10F2
SCHEMBL7372754 0.79 F10 (0.42) JAK2HDAC1F10F2
SCHEMBL6168757 0.75 F10 (0.43) JAK2HDAC1F10F2
SCHEMBL7368537 0.75 RXFP2 (0.40) RXFP2PIP4K2APIP4K2B
SCHEMBL6169151 0.75 RXFP2 (0.39) RXFP2PIP4K2APIP4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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 (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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 RXFP2 1676/4885JAK2 319/4885HDAC1 592/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 RXFP2 1676/4885JAK2 319/4885HDAC1 592/4885

“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.