SCHEMBL17322467

SCHEMBL17322467

CCC1OC(OC(C)=O)C(OC(=O)c2ccccc2)C1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 1/20 0.43
LGALS1 P09382 1/20 0.43
LGALS3 P17931 1/20 0.43
LGALS7; LGALS7B P47929 1/20 0.43
PTPN1 P18031 2/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.39
ABCB1 P08183 8/20 0.38
NT5E P21589 1/20 0.37
BCHE P06276 2/20 0.37
KMT2A Q03164 1/20 0.36
SLC43A1 O75387 1/20 0.36

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
SCHEMBL25504933 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL29323260 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL25504875 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL25524899 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL10024720 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL15837375 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL16769132 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL17211042 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL25504930 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL25504609 1.00 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1

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-9624258-B2 Polymorph of regadenoson BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2017-04-18 US disclosed
US-9580457-B2 Process for the preparation of (1-{9-[(4S, 2R, 3R, 5R)-3, 4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl}pyrazole-4-yl)-N-methylcarboxamide BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2017-02-28 US disclosed
US-20160115191-A1 Novel Polymorph of Regadenoson BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2016-04-28 US disclosed
US-20150353593-A1 Novel Process for the Preparation of (1-pyrazole-4-yl)-N-methylcarboxamide BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2015-12-10 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-20160115191-A1 Novel Polymorph of Regadenoson UGT1A6, PARP16, POLR1A LGALS9 1426/4885LGALS1 798/4885LGALS3 678/4885
US-20150353593-A1 Novel Process for the Preparation of (1-pyrazole-4-yl)-N-methylcarboxamide AADAC, PYCR1, CPS1 LGALS9 3279/4885LGALS1 4040/4885LGALS3 3359/4885

“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.