SCHEMBL19867565

SCHEMBL19867565

CCOc1ccc(C(c2cc(I)ccc2Cl)N(CC)CC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.37
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 4/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL19867462 0.81 L3MBTL1 (0.44) NQO1ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL19867461 0.80 MEN1 (0.41) ALDH1A1L3MBTL1MEN1GAAKMT2A
SCHEMBL1767648 0.80 L3MBTL1 (0.44) NQO1ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL28452086 0.78 NQO1 (0.39) NQO1ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL19867421 0.73 TP53 (0.43) ALDH1A1L3MBTL1TSHRMEN1GAA
SCHEMBL19867463 0.71 P4HB (0.43) ALDH1A1L3MBTL1TSHRMEN1GAA
SCHEMBL28897598 0.70 FFAR4 (0.56) NQO1ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL19867446 0.69 LMNA (0.38) ALDH1A1L3MBTL1TDP1MEN1GAA
SCHEMBL29455231 0.68 SLC5A2 (0.53) MEN1KMT2ASLC5A1SLC5A2
SCHEMBL1933786 0.68 SLC5A2 (0.53) MEN1KMT2ASLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323939-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF LAURUS LABS LIMITED (IN) 2021-10-21 US disclosed
WO-2018029611-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF LAURUS LABS LIMITED (IN) 2018-02-15 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-20210323939-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF SLC5A1, SLC5A2, DPP4 NQO1 757/4885ALDH1A1 1945/4885L3MBTL1 4731/4885

“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.