SCHEMBL22613648

SCHEMBL22613648

O=S(=O)(CC1CCCCO1)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.40
▸ KMO O15229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2428641 0.80 PKM (0.47) MGLLHPGDPKMALDH1A1LMNA
SCHEMBL8125415 0.74 CHRM5 (0.41) HPGDALDH1A1LMNATSHRKMT2A
SCHEMBL23564362 0.73 MGLL (0.38) MGLLPKMALDH1A1LMNATSHR
SCHEMBL1272645 0.72 ALDH1A1 (0.36) MGLLHPGDPKMALDH1A1LMNA
SCHEMBL5490567 0.72 HPGD (0.38) HPGDPKMALDH1A1LMNAKMT2A
SCHEMBL14647288 0.72 PKM (0.36) HPGDPKMALDH1A1LMNATSHR
SCHEMBL4770390 0.72 ALDH1A1 (0.36) HPGDPKMALDH1A1LMNATSHR
SCHEMBL30509807 0.72 PKM (0.36) HPGDPKMALDH1A1LMNATSHR
SCHEMBL7321280 0.72 ALDH1A1 (0.36) HPGDPKMALDH1A1LMNATSHR
SCHEMBL20397085 0.72 MGLL (0.60) MGLLPKMALDH1A1KMT2A

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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2020-11-05 — — 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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS GRM5, GRIK5, GRM2 MGLL 1708/4885HPGD 956/4885PKM 1291/4885

“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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