SCHEMBL20677953

SCHEMBL20677953

O=C1COCCN1Cc1cc(=O)c(OCCCCCSc2ccnc3cc(C(F)(F)F)ccc23)co1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 3/20 0.82
RAC2 P15153 1/20 0.82
RAC3 P60763 1/20 0.82
APLNR P35414 2/20 0.34
ADRB2 P07550 1/20 0.31
NCF1 P14598 1/20 0.31
RORC P51449 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
SCHEMBL1461351 0.90 RAC1 (1.00) RAC1RAC2RAC3APLNR
SCHEMBL30798860 0.90 RAC1 (1.00) RAC1RAC2RAC3APLNR
Hydrochloric Acid SCHEMBL384979 0.90 RAC1 (1.00) RAC1RAC2RAC3APLNR
Hydrochloric Acid SCHEMBL29383079 0.90 RAC1 (1.00) RAC1RAC2RAC3APLNR
SCHEMBL20677994 0.87 RAC1 (0.73) RAC1RAC2RAC3APLNR
SCHEMBL1460422 0.86 RAC1 (0.87) RAC1RAC2RAC3APLNRADRB2
SCHEMBL20683278 0.86 RAC1 (0.71) RAC1RAC2RAC3APLNR
SCHEMBL20678077 0.86 RAC1 (0.71) RAC1RAC2RAC3APLNR
SCHEMBL4499457 0.85 RAC1 (0.84) RAC1RAC2RAC3APLNRADRB2
SCHEMBL1461829 0.85 RAC1 (0.84) RAC1RAC2RAC3APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
US-20190031647-A1 RAC INHIBITORS Geneyus LLC (US) 2019-01-31 US disclosed
US-20190031647-A1 RAC INHIBITORS Geneyus LLC (US) 2019-01-31 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-20190031647-A1 RAC INHIBITORS ARHGDIB, ARHGDIA, RAC1 RAC1 3/4885RAC2 4/4885RAC3 10/4885
US-10472352-B2 Rac inhibitors ARHGDIB, ARHGDIA, RAC1 RAC1 3/4885RAC2 4/4885RAC3 10/4885

“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.