SCHEMBL13361069

SCHEMBL13361069

Cc1c(OCCF)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
LMNA P02545 5/20 0.47
CYP2C9 P11712 4/20 0.47
WDR5 P61964 4/20 0.47
MAPT P10636 4/20 0.47
ENGASE Q8NFI3 3/20 0.47
ALDH1A1 P00352 3/20 0.47
DDAH1 O94760 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
HPGD P15428 2/20 0.47
TBXA2R P21731 2/20 0.47
NPY1R P25929 2/20 0.47
ADORA1 P30542 2/20 0.47
OPRM1 P35372 2/20 0.47
HTR3A P46098 2/20 0.47
FASN P49327 2/20 0.47
SARM1 Q6SZW1 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
HTR1A P08908 1/20 0.47
IDE P14735 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
SCHEMBL13360944 1.00 KMT2A (0.47) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL8503283 0.92 LMNA (0.47) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL6582664 0.92 KMT2A (0.49) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL8502421 0.91 KMT2A (0.45) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL8500264 0.91 KMT2A (0.48) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL9022527 0.91 KMT2A (0.48) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL859243 0.90 CYP2C9 (0.48) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL15797364 0.90 KMT2A (0.49) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL5352982 0.90 KMT2A (0.54) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL13728136 0.89 KMT2A (0.52) KMT2ALMNACYP2C9WDR5MAPT

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-20100113527-A1 CRYSTALLINE FORMS OF DEXLANSOPRAZOLE TEVA PHARMACEUTICAL INDUSTRIES LTD. 2010-05-06 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-20100113527-A1 CRYSTALLINE FORMS OF DEXLANSOPRAZOLE CYP2D6, CYP2C19, CYP3A4 KMT2A 4551/4885LMNA 3147/4885CYP2C9 9/4885

“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.