SCHEMBL4798199

SCHEMBL4798199

COc1ccc(COC(=O)N2C(C(=O)O)CC3CCCCC32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.46
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.42
GRIN2B Q13224 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
P2RX4 Q99571 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4798929 0.90 CYP3A4 (0.53) CYP3A4KMT2AGRIN2BP2RX4PKM
SCHEMBL4799220 0.88 CYP3A4 (0.44) ACECYP3A4MEN1KMT2AUSP2
SCHEMBL5166408 0.87 CYP3A4 (0.44) ACECYP3A4MEN1KMT2AUSP2
SCHEMBL4842577 0.87 ACE (0.53) ACECYP3A4MEN1KMT2AUSP2
SCHEMBL7339038 0.87 ACE (0.53) ACECYP3A4MEN1KMT2AUSP2
SCHEMBL4848858 0.87 ACE (0.53) ACECYP3A4MEN1KMT2AUSP2
SCHEMBL4799717 0.87 ACE (0.53) ACECYP3A4MEN1KMT2AUSP2
SCHEMBL3843206 0.87 ACE (0.53) ACECYP3A4MEN1KMT2AUSP2
SCHEMBL4799891 0.86 CYP3A4 (0.43) ACECYP3A4GRIN2BP2RX4PKM
SCHEMBL4796044 0.86 CYP3A4 (0.45) CYP3A4GRIN2BP2RX4PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439036-B2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-21 US disclosed
EP-1536017-B1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2007-04-18 EP disclosed
EP-1536017-A2 Process for producing optically active octahydro-1H-indole-2-carboxylic acid Sumitomo Chemical Company, Limited (JP) 2005-06-01 EP disclosed
US-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-19 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-20050106690-A1 Process for producing optically active octahydro-1H-indole-2-carboxylic acid IDO1, IDO2, APEH ACE 1148/4885CYP3A4 365/4885MEN1 1912/4885

“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.