SCHEMBL5711200

SCHEMBL5711200

CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.53
PSMB5 P28074 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 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
SCHEMBL11324889 1.00 MBTPS1 (0.67) MBTPS1SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL10354569 0.87 SDCBP (0.59) MBTPS1SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL17996008 0.87 CYP2C9 (0.57) MBTPS1SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL4734519 0.86 RECQL (0.67) MBTPS1SMN1; SMN2NPSR1RAB9AKMT2A
SCHEMBL9633343 0.86 SMN1; SMN2 (0.53) MBTPS1SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL8548807 0.85 GPR132 (0.55) MBTPS1SMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL8548803 0.85 GPR132 (0.55) MBTPS1SMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL11323476 0.84 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL25556937 0.84 SMN1; SMN2 (0.83) SMN1; SMN2ALDH1A1KDM4ENPSR1NPC1
SCHEMBL11323461 0.84 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839665-B2 Aminostatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-12-12 US disclosed
US-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-9345742-B2 Aminostatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2016-05-24 US disclosed
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
US-4252952-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-02-24 US disclosed
US-4178445-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-12-11 US disclosed
US-4039536-A 7-(α-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACIDS AND THEIR DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-08-02 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 (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-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSB, CTSZ MBTPS1 2816/4885SMN1; SMN2 3956/4885ALDH1A1 2943/4885

“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.