SCHEMBL11944704

SCHEMBL11944704

CC(CC(C)(C)O)Oc1c(N2CCN(S(=O)(=O)C(C)C)CC2)cnn(-c2cc(F)cc(F)c2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.35
▸ CYP21A2 P08686 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ DCTPP1 Q9H773 2/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ CYP11B1 P15538 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ADAMTS4 O75173 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ MMP14 P50281 2/20 0.32
▸ MMP1 P03956 1/20 0.31

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
SCHEMBL11944736 0.86 CYP17A1 (0.35) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11944133 0.86 NPSR1 (0.37) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11944221 0.82 NPSR1 (0.37) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11944343 0.81 POLB (0.39) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11943692 0.81 CYP17A1 (0.40) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11944714 0.80 POLB (0.37) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL17058327 0.79 POLB (0.41) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11944298 0.79 POLB (0.37) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11945131 0.79 MAPT (0.38) CYP17A1CYP21A2MAPTPOLBCYP3A4
SCHEMBL11944688 0.79 POLB (0.38) CYP17A1CYP21A2MAPTPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA CYP17A1 744/4885CYP21A2 1120/4885MAPT 2295/4885

“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