SCHEMBL7575404

SCHEMBL7575404

CC(CO)(CO)NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
CYP2C9 P11712 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 1/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
HDAC3 O15379 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
IDO1 P14902 1/20 0.47
ALOX15 P16050 1/20 0.47
HDAC1 Q13547 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL22832225 0.85 POLB (0.50) POLBCYP2C9NPSR1SMN1; SMN2EPHX1
SCHEMBL22832224 0.85 POLB (0.50) POLBCYP2C9NPSR1SMN1; SMN2EPHX1
SCHEMBL621869 0.85 POLB (0.71) POLBCYP2C9NPSR1SMN1; SMN2EPHX1
SCHEMBL12301905 0.83 ALDH1A1 (0.53) POLBSMN1; SMN2GAAKMT2ARAB9A
SCHEMBL9828829 0.81 POLB (0.57) POLBCYP2C9NPSR1SMN1; SMN2EPHX1
SCHEMBL9828824 0.81 POLB (0.57) POLBCYP2C9NPSR1SMN1; SMN2EPHX1
SCHEMBL14552910 0.80 KMT2A (0.50) POLBNPSR1KMT2AALOX15CYP2C19
SCHEMBL16475559 0.80 POLB (0.55) POLBCYP2C9NPSR1SMN1; SMN2EPHX1
SCHEMBL408310 0.79 CYP2C9 (0.67) POLBCYP2C9SMN1; SMN2EPHX1GAA
SCHEMBL26661392 0.78 POLB (0.67) POLBCYP2C9NPSR1SMN1; SMN2EPHX1

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-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 US disclosed
WO-2002055077-A1 USE OF IMIDAZOLYL CYCLIC ACETAL DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DISEASES MEDIATED BY THE ALK5 RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-18 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-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF MINK1, MELK, MRPL21 POLB 4228/4885CYP2C9 1362/4885NPSR1 1659/4885

“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.