SCHEMBL26097933

SCHEMBL26097933

CCSc1nc2c(O)c(O)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ FBP1 P09467 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10816690 0.74 LMNA (0.51) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL15209996 0.72 CYP1A2 (0.41) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL23706910 0.69 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL26133650 0.69 SMN1; SMN2 (0.33) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8156547 0.66 CYP1A2 (0.36) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL774785 0.66 CYP1A2 (0.73) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL9622398 0.66 SMN1; SMN2 (0.71) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL13766355 0.65 SMN1; SMN2 (0.47) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL3802060 0.65 FBP1 (0.46) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL27834024 0.65 PPARA (0.55) ALDH1A1CYP1A2CYP2D6FBP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138851-A1 NOVEL ALKYNE DERIVATIVES CARNA BIOSCIENCES, INC. (JP) 2023-05-04 — — 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-20230138851-A1 NOVEL ALKYNE DERIVATIVES DYRK1B, DYRK3, DYRK2 PTGS1 3003/4885PTGS2 2849/4885ALDH1A1 1453/4885

“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.

Send feedback