SCHEMBL22080431

SCHEMBL22080431

CCCCCc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ AKT1 P31749 10/20 0.54
▸ GAB1 Q13480 3/20 0.54
▸ IRS1 P35568 2/20 0.54
▸ RARB P10826 5/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ AKT2 P31751 1/20 0.51
▸ AKT3 Q9Y243 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RARA P10276 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49

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
SCHEMBL22079909 0.93 AKT1 (0.48) KDM4EAKT1GAB1IRS1RARB
SCHEMBL24257837 0.91 TP53 (0.48) KDM4EAKT1GAB1IRS1MAPT
SCHEMBL22079879 0.87 KDM4E (0.57) KDM4EAKT1GAB1IRS1RARB
SCHEMBL22080432 0.81 TDP1 (0.61) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL31682020 0.81 TBXA2R (0.43) KDM4EAKT1GAB1IRS1ALDH1A1
SCHEMBL31681966 0.81 TBXA2R (0.43) KDM4EAKT1GAB1IRS1ALDH1A1
SCHEMBL31682097 0.81 TBXA2R (0.43) KDM4EAKT1GAB1IRS1ALDH1A1
SCHEMBL22080190 0.80 KDM4E (0.49) KDM4EAKT1GAB1IRS1SMN1; SMN2
SCHEMBL24257838 0.78 TDP1 (0.68) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL22106155 0.78 GHSR (0.38) KDM4EAKT1GAB1IRS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181223-A1 INSULIN CONJUGATES SANOFI (FR) 2020-06-11 — — 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-20200181223-A1 INSULIN CONJUGATES IAPP, INSR, IGF1R KDM4E 3938/4885AKT1 1118/4885GAB1 1471/4885

“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.

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