SCHEMBL11944267

SCHEMBL11944267

C[C@@H]1CCC[C@H]1Oc1c(N2CCN(S(C)(=O)=O)CC2)cnn(C2CCCCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ DCTPP1 Q9H773 1/20 0.40
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A2 P11168 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCNE1 P24864 11/20 0.34
▸ CDK2 P24941 11/20 0.34
▸ CCND1 P24385 7/20 0.34
▸ CDK6 Q00534 7/20 0.34
▸ TTK P33981 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CCNT1 O60563 3/20 0.33
▸ CDK4 P11802 3/20 0.33
▸ CDK9 P50750 3/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 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
SCHEMBL11944278 0.91 CCND1 (0.33) ALDH1A1DCTPP1SLC2A1SLC2A2SLC2A3
SCHEMBL11944164 0.89 KDM4E (0.39) ALDH1A1CNR2
SCHEMBL11944212 0.88 ALDH1A1 (0.43) ALDH1A1DCTPP1SLC2A1SLC2A2SLC2A3
SCHEMBL11944165 0.86 POLB (0.42) ALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL11944264 0.86 ALDH1A1 (0.43) ALDH1A1DCTPP1SLC2A1SLC2A2SLC2A3
SCHEMBL11944199 0.85 ALDH1A1 (0.44) ALDH1A1DCTPP1SLC2A1SLC2A2SLC2A3
SCHEMBL11944222 0.82 ALDH1A1 (0.40) ALDH1A1DCTPP1SLC2A1SLC2A2SLC2A3
SCHEMBL11944193 0.79 ALDH1A1 (0.45) ALDH1A1DCTPP1SLC2A1SLC2A2SLC2A3
SCHEMBL11944279 0.79 ALDH1A1 (0.48) ALDH1A1DCTPP1SLC2A1SLC2A3SMN1; SMN2
SCHEMBL11944340 0.78 HRH3 (0.35) ALDH1A1DCTPP1SLC2A1SLC2A2SLC2A3

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 ALDH1A1 2437/4885DCTPP1 625/4885SLC2A1 1099/4885

“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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