SCHEMBL6056845

SCHEMBL6056845

CC[C@H](C)[C@H](N)C(=O)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 6/20 0.60
▸ HSPA2 P54652 3/20 0.60
▸ FFAR2 O15552 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSPA9 P38646 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPK1 P28482 1/20 0.50

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
SCHEMBL7415644 1.00 HSPA5 (0.60) HSPA5HSPA2FFAR2ALDH1A1PKM
Hydrochloric Acid SCHEMBL7417556 0.99 HSPA5 (0.59) HSPA5HSPA2FFAR2ALDH1A1PKM
SCHEMBL23804604 0.85 LMNA (0.59) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL7876872 0.85 LMNA (0.59) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL7868173 0.85 LMNA (0.56) HSPA5HSPA2FFAR2LMNATSHR
Bromide SCHEMBL11310643 0.82 LMNA (0.57) HSPA5HSPA2FFAR2LMNATSHR
Bromide SCHEMBL11317007 0.80 LMNA (0.57) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL6056801 0.80 LMNA (0.51) HSPA5HSPA2FFAR2LMNATSHR
Hydrochloric Acid SCHEMBL7381658 0.79 LMNA (0.50) HSPA5HSPA2FFAR2LMNATSHR
SCHEMBL7873410 0.79 LMNA (0.50) HSPA5HSPA2FFAR2ALDH1A1PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 — — US claimed
US-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 — — US disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 — — US disclosed
EP-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 — — EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 — — WO 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-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors TPSAB1, CMA1, TPSG1 HSPA5 3822/4885HSPA2 3995/4885FFAR2 2282/4885

“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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