SCHEMBL21370769

SCHEMBL21370769

O=C(NNC(O)C(O)(CNc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F)C(F)(F)F)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 20/20 0.58
▸ GUCY1A2 P33402 20/20 0.58
▸ GUCY1A1 Q02108 20/20 0.58
▸ GUCY1B1 Q02153 20/20 0.58
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL21370662 0.91 GUCY1B2 (0.63) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL17620964 0.90 GUCY1B2 (0.61) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL21370634 0.86 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL22046701 0.85 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL24225374 0.85 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL16081910 0.83 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL16906878 0.83 GUCY1B2 (0.63) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL19456891 0.83 GUCY1B2 (0.67) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL19435076 0.83 GUCY1B2 (0.59) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL18854998 0.83 GUCY1B2 (0.71) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9

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-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 — — 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-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 GUCY1B2 23/4885GUCY1A2 15/4885GUCY1A1 16/4885

“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.

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