SCHEMBL24512654

SCHEMBL24512654

CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1ccc(Oc2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTDSS1 P48651 20/20 1.00

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
SCHEMBL24512681 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24512564 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24513085 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24512755 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24512553 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24512537 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24512645 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24513095 0.86 PTDSS1 (1.00) PTDSS1
SCHEMBL24512685 0.85 PTDSS1 (1.00) PTDSS1
SCHEMBL24512675 0.85 PTDSS1 (1.00) PTDSS1

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
EP-3936192-B1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2025-04-09 EP disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 PTDSS1 1/4885

“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.