SCHEMBL3066903

SCHEMBL3066903

COCCCOc1ccnc(C(=O)[S+]([O-])c2nc3ccccc3[nH]2)c1C.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ WDR5 P61964 4/20 0.52
▸ ENGASE Q8NFI3 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ DDAH1 O94760 2/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TBXA2R P21731 2/20 0.52
▸ NPY1R P25929 2/20 0.52
▸ ADORA1 P30542 2/20 0.52
▸ OPRM1 P35372 2/20 0.52
▸ HTR3A P46098 2/20 0.52
▸ FASN P49327 2/20 0.52
▸ SARM1 Q6SZW1 2/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ IDE P14735 1/20 0.52

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
SCHEMBL3063914 0.99 KMT2A (0.53) KMT2AALDH1A1MAPTCYP2C9WDR5
SCHEMBL3077127 0.98 KMT2A (0.52) KMT2AALDH1A1MAPTCYP2C9WDR5
SCHEMBL20602115 0.84 MAPT (0.53) KMT2AALDH1A1MAPTCYP2C9WDR5
SCHEMBL3900720 0.81 KMT2A (0.56) KMT2AALDH1A1MAPTCYP2C9WDR5
Rabeprazole SCHEMBL28429280 0.80 KMT2A (0.58) KMT2AALDH1A1MAPTCYP2C9WDR5
Rabeprazole SCHEMBL140495 0.80 KMT2A (0.60) KMT2AALDH1A1MAPTCYP2C9WDR5
Dexrabeprazole SCHEMBL22189141 0.80 KMT2A (0.60) KMT2AALDH1A1MAPTCYP2C9WDR5
Rabeprazole SCHEMBL2998946 0.80 KMT2A (0.60) KMT2AALDH1A1MAPTCYP2C9WDR5
Rabeprazole SCHEMBL491358 0.80 KMT2A (0.60) KMT2AALDH1A1MAPTCYP2C9WDR5
Rabeprazole SCHEMBL2998947 0.80 KMT2A (0.60) KMT2AALDH1A1MAPTCYP2C9WDR5

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-7790891-B2 Process for the preparation of pyridine-methylsulfinyl compounds DIPHARMA FRANCIS S.R.L. (IT) 2010-09-07 — — US disclosed
EP-1921075-B1 A process for the preparation of pyridine-methylsulfinyl compounds DIPHARMA FRANCIS SRL (IT) 2010-03-03 — — EP disclosed
US-20090076277-A1 Process for the preparation of pyridine-methylsulfinyl compounds DIPHARMA FRANCIS S.R.L. (IT) 2009-03-19 — — US disclosed
EP-1921075-A2 A process for the preparation of pyridine-methylsulfinyl compounds Dipharma Francis S.r.l. (IT) 2008-05-14 — — EP 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-20090076277-A1 Process for the preparation of pyridine-methylsulfinyl compounds RPS8, SRP68, PRMT8 KMT2A 1098/4885ALDH1A1 2888/4885MAPT 3942/4885

“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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