Sugi Predict

Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL3449659

C.CCOC(=O)c1cc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OCC=S(=O)=O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.37
▸ SIRT5 Q9NXA8 2/20 0.37
▸ STIM1 Q13586 1/20 0.35
▸ ORAI1 Q96D31 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
Methane SCHEMBL3448558 0.87 EGFR (0.38) NPSR1MAPTTSHRNPC1SYK
SCHEMBL3448167 0.87 SYK (0.40) NPSR1SIRT5STIM1ORAI1MAPT
SCHEMBL13312579 0.86 SIRT5 (0.41) NPSR1SIRT5STIM1ORAI1MAPT
SCHEMBL3449657 0.86 NPSR1 (0.37) NPSR1SIRT5STIM1ORAI1MAPT
SCHEMBL13312581 0.86 SIRT5 (0.38) NPSR1SIRT5STIM1ORAI1MAPT
SCHEMBL3373538 0.85 TYRO3 (0.39) STIM1ORAI1MAPTTYRO3MERTK
SCHEMBL3450610 0.83 SIRT5 (0.39) NPSR1SIRT5STIM1ORAI1MAPT
SCHEMBL3450368 0.82 SYK (0.42) NPSR1SIRT5STIM1ORAI1MAPT
SCHEMBL3373077 0.82 SYK (0.41) STIM1ORAI1MAPTTYRO3MERTK
SCHEMBL3376116 0.81 DAPK1 (0.39) STIM1ORAI1MAPTTYRO3MERTK

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NPSR1 2715/4885SIRT5 945/4885STIM1 3969/4885

“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.