SCHEMBL11943942

SCHEMBL11943942

CCC1CCC(Oc2c(N3CCN(S(=O)(=O)c4cccs4)CC3)cnn(-c3ccccc3F)c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL11943935 0.87 THRB (0.51) TSHRGAATHRBMAPTPOLB
SCHEMBL11945066 0.87 ALDH1A1 (0.49) GAAMAPTPOLBSMN1; SMN2SCN9A
SCHEMBL11945064 0.85 KDM4E (0.55) GAATHRBMAPTSMN1; SMN2SCN9A
SCHEMBL11945063 0.83 HSD17B10 (0.44) TSHRGAAMAPTSCN9AKDM4E
SCHEMBL17057909 0.82 SCN9A (0.38) TSHRGAATHRBMAPTSCN9A
SCHEMBL17058134 0.80 SLC2A1 (0.37) TSHRGAAMAPTPOLBSCN9A
SCHEMBL11944424 0.79 SMN1; SMN2 (0.48) TSHRGAATHRBMAPTPOLB
SCHEMBL17058337 0.79 SCN9A (0.36) TSHRSCN9AKDM4EALDH1A1HSD17B10
SCHEMBL11944000 0.78 POLB (0.47) TSHRGAATHRBMAPTPOLB
SCHEMBL11943888 0.77 MAPT (0.61) TSHRGAAMAPTPOLBSMN1; SMN2

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 TSHR 4729/4885GAA 21/4885THRB 4754/4885

“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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