SCHEMBL24512784

SCHEMBL24512784

CC(F)(F)CN1C(=O)c2[nH]nc(-c3cccc4[nH]c(=O)oc34)c2C1c1cnc(Oc2ccc(F)cc2)cn1

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
SCHEMBL24512721 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24512592 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL31556436 0.87 PTDSS1 (1.00) PTDSS1
SCHEMBL24512684 0.85 PTDSS1 (1.00) PTDSS1
SCHEMBL31556426 0.85 PTDSS1 (1.00) PTDSS1
SCHEMBL24513036 0.85 PTDSS1 (1.00) PTDSS1
SCHEMBL31556437 0.84 PTDSS1 (1.00) PTDSS1
SCHEMBL24512569 0.84 PTDSS1 (1.00) PTDSS1
SCHEMBL24512576 0.82 PTDSS1 (1.00) PTDSS1
SCHEMBL24512553 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.