SCHEMBL2608970

SCHEMBL2608970

Cc1ccsc1C(O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ADRA1D P25100 2/20 0.42
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19122447 0.77 ALOX5 (0.46) ALOX5ADRA1DNPC1PKMRAB9A
SCHEMBL19277644 0.77 ALOX5 (0.42) ALOX5ADRA1DNPC1PKMRAB9A
SCHEMBL19277646 0.77 ALOX5 (0.32) ALOX5
SCHEMBL827163 0.77
SCHEMBL6569286 0.75 ALOX5 (0.49) ALOX5ADRA1DNPC1PKMRAB9A
SCHEMBL9151440 0.75 ALOX5 (0.41) ALOX5ADRA1DALDH1A1
SCHEMBL19277643 0.74 ALOX5 (0.44) ALOX5ADRA1DNPC1RAB9AGSK3B
SCHEMBL25445382 0.73
SCHEMBL11151827 0.73
SCHEMBL11202396 0.73

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
WO-2017140274-A1 TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR 正大天晴药业集团股份有限公司 2017-08-24 WO disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ALOX5 2385/4885ADRA1D 2934/4885NPC1 545/4885

“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.