SCHEMBL7216688

SCHEMBL7216688

O=S(=O)(c1cccc2ccccc12)N1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.97
MEN1 O00255 4/20 0.97
SMN1; SMN2 Q16637 2/20 0.79
TSHR P16473 4/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 3/20 0.61
MAPK1 P28482 1/20 0.61
ATM Q13315 1/20 0.60
CNR1 P21554 1/20 0.60
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.57
EPHX2 P34913 1/20 0.56
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
CIT O14578 1/20 0.53

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
SCHEMBL1063351 0.98 KMT2A (1.00) KMT2AMEN1SMN1; SMN2TSHRCYP3A4
SCHEMBL8564336 0.93 MEN1 (0.83) KMT2AMEN1SMN1; SMN2TSHRCYP3A4
SCHEMBL9281354 0.86 CYP3A4 (0.73) KMT2AMEN1SMN1; SMN2TSHRCYP3A4
SCHEMBL17007472 0.85 MEN1 (0.71) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL6568319 0.85 MEN1 (0.71) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL20021983 0.85 KMT2A (0.71) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL2960623 0.85 MEN1 (0.71) KMT2AMEN1SMN1; SMN2TSHRCYP3A4
SCHEMBL4389694 0.84 MEN1 (0.74) KMT2AMEN1SMN1; SMN2TSHRCYP3A4
SCHEMBL14919477 0.82 MEN1 (0.68) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL2952847 0.82 MAPT (0.71) KMT2AMEN1SMN1; SMN2TSHRMAPT

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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 KMT2A 4002/4885MEN1 4593/4885SMN1; SMN2 4681/4885

“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.