Sugi Predict

Sugi Predict / Compounds / SCHEMBL516928

SCHEMBL516928

SCHEMBL516928

CC(C)[Si](C(C)C)(C(C)C)n1cc(Cl)c2ccccc21.O=S(=O)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.34
▸ GSK3B P49841 3/20 0.33
▸ GSK3A P49840 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL1077028 0.82 HTR6 (0.35) HTR6POLBHTR2APDE4BPDE4D
SCHEMBL517770 0.78 HTR6 (0.32) HTR6ALDH1A1HSD17B10
SCHEMBL29165435 0.75 ALDH1A1 (0.56) LMNAMAPTSMN1; SMN2MEN1POLB
SCHEMBL424495 0.74 SLC6A2 (0.45) HTR6MAPTMAPK1SMN1; SMN2MEN1
SCHEMBL29830999 0.72 GPR3 (0.33) HTR6LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL1077030 0.72 GPR3 (0.33) HTR6LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL25141967 0.71 NOTUM (0.46) CYP3A4CYP2D6LMNACYP1A2NFKB1
SCHEMBL15024911 0.70 SMN1; SMN2 (0.33) LMNAMAPTMAPK1SMN1; SMN2POLB
SCHEMBL27737127 0.70 GPR84 (0.37) HTR6MAPTSMN1; SMN2RECQLKMT2A
SCHEMBL1413322 0.68 HTR6 (0.37) HTR6MAPK1CYP2C9CYP2C19

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-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 — — EP disclosed
CN-103339111-B Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG (CH) 2015-12-16 — — CN disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 — — US disclosed
CN-103339111-A Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG 2013-10-02 — — CN disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — 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 (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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY HTR6 4760/4885GSK3B 363/4885GSK3A 352/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY HTR6 4760/4885GSK3B 363/4885GSK3A 352/4885

“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.