Sugi Predict

Sugi Predict / Compounds / SCHEMBL1244136

SCHEMBL1244136

SCHEMBL1244136

CC(C)(C)[Si](OCc1cc(Br)cs1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMYD2 Q9NRG4 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ MGMT P16455 2/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12889974 0.84 SMYD2 (0.32) SMYD2
SCHEMBL4886839 0.80 SMYD2 (0.31) SMYD2
SCHEMBL6260193 0.78 SMYD2 (0.35) SMYD2MGMTGAACYP3A4HTT
SCHEMBL8172914 0.78 MAPT (0.37) TSHRHSD17B10SMYD2GAACYP3A4
SCHEMBL5561672 0.78 IDO1 (0.41) SMYD2ABL1CYP3A4HTTSMN1; SMN2
SCHEMBL8188654 0.77 L3MBTL1 (0.37) SLC6A3SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3934611 0.77 LTB4R (0.33) SMYD2
SCHEMBL216403 0.77 MGMT (0.38) SLC6A4SLC6A3MGMTGAA
SCHEMBL6132650 0.76 KDM5A (0.36) TSHRSMYD2GAACYP3A4SMN1; SMN2
SCHEMBL30516569 0.76 KDM5A (0.36) TSHRSMYD2GAACYP3A4SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365540-B2 Benzimidazole derivatives as MCH receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 — — US disclosed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 — — US disclosed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 — — US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 — — US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 — — US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — 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 (2 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-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 SLC6A4 1676/4885SLC6A3 385/4885TSHR 4383/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 SLC6A4 862/4885SLC6A3 696/4885TSHR 2483/4885

“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.