SCHEMBL279593

SCHEMBL279593

Cc1ccc(C(O)C[S+](N)[O-])nc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ADRA2A P08913 4/20 0.34
▸ ADRA2B P18089 4/20 0.34
▸ ADRA2C P18825 4/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ S1PR2 O95136 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ APLNR P35414 1/20 0.30

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
SCHEMBL3699138 0.78 NOS3 (0.42) NOS3NOS2CCR1CCR5CCR8
SCHEMBL25160322 0.77 PDE10A (0.45) NOS3NOS2CCR1CCR5CCR8
SCHEMBL26403105 0.74 CCR1 (0.40) NOS3NOS2CCR1CCR5CCR8
SCHEMBL12064394 0.73 CCR1 (0.39) NOS3NOS2CCR1CCR5CCR8
SCHEMBL25160541 0.71 CCR1 (0.38) NOS3NOS2CCR1CCR5CCR8
SCHEMBL14950021 0.70 CCR1 (0.48) NOS3NOS2CCR1CCR5CCR8
SCHEMBL4536635 0.70 NOS3 (0.42) NOS3NOS2CCR1CCR5CCR8
SCHEMBL18650428 0.70 NOS3 (0.42) NOS3NOS2CCR1CCR5CCR8
SCHEMBL12572508 0.70 KDM4E (0.39) NOS3NOS2CCR1CCR5CCR8
SCHEMBL25160111 0.70 CCR1 (0.36) NOS3NOS2CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 — — US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 — — 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-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL NOS3 1732/4885NOS2 2009/4885CCR1 629/4885

“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.

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