SCHEMBL20602115

SCHEMBL20602115

Cc1c(OCC(F)(F)F)ccnc1C(=O)[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.53
▸ CYP2C9 P11712 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ WDR5 P61964 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ENGASE Q8NFI3 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SARM1 Q6SZW1 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ DDAH1 O94760 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ TBXA2R P21731 2/20 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
SCHEMBL3063914 0.85 KMT2A (0.53) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL3077127 0.84 KMT2A (0.52) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL3066903 0.84 KMT2A (0.52) MAPTCYP2C9ALDH1A1WDR5KMT2A
SCHEMBL27959313 0.81 NPC1 (0.59) MAPTCYP2C9ALDH1A1WDR5KMT2A
Dexlansoprazole SCHEMBL1457401 0.80 NPC1 (0.61) MAPTCYP2C9ALDH1A1WDR5KMT2A
Lansoprazole SCHEMBL1457400 0.80 NPC1 (0.61) MAPTCYP2C9ALDH1A1WDR5KMT2A
Dexlansoprazole SCHEMBL44975 0.79 CYP2C9 (0.63) MAPTCYP2C9ALDH1A1WDR5KMT2A
Lansoprazole SCHEMBL1559598 0.79 CYP2C9 (0.63) MAPTCYP2C9ALDH1A1WDR5KMT2A
Lansoprazole SCHEMBL22366 0.79 CYP2C9 (0.63) MAPTCYP2C9ALDH1A1WDR5KMT2A
Lansoprazole SCHEMBL8597994 0.79 CYP2C9 (0.63) MAPTCYP2C9ALDH1A1WDR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3646855-B1 ORAL SOLID PREPARATION COMPOSITION COMPRISING PROTON PUMP INHIBITOR, ORAL SOLID PREPARATION COMPRISING SAME, AND PREPARATION METHOD THEREFOR LOTTE FINE CHEMICAL CO LTD (KR) 2024-05-01 — — EP disclosed
US-20200155457-A1 ORAL SOLID PREPARATION COMPOSITION COMPRISING PROTON PUMP INHIBITOR, ORAL SOLID PREPARATION COMPRISING SAME, AND PREPARATION METHOD THEREFOR LOTTE FINE CHEMICAL CO., LTD. (KR) 2020-05-21 — — US disclosed
EP-3646855-A2 ORAL SOLID PREPARATION COMPOSITION COMPRISING PROTON PUMP INHIBITOR, ORAL SOLID PREPARATION COMPRISING SAME, AND PREPARATION METHOD THEREFOR LOTTE Fine Chemical Co., Ltd. (KR) 2020-05-06 — — EP disclosed
CN-110785164-A Solid preparation composition for oral administration comprising proton pump inhibitor, solid preparation for oral administration comprising the same, and method for producing the same 乐天精密化学株式会社 2020-02-11 — — CN disclosed
WO-2019004770-A2 ORAL SOLID PREPARATION COMPOSITION COMPRISING PROTON PUMP INHIBITOR, ORAL SOLID PREPARATION COMPRISING SAME, AND PREPARATION METHOD THEREFOR 롯데정밀화학 주식회사 2019-01-03 — — 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-20200155457-A1 ORAL SOLID PREPARATION COMPOSITION COMPRISING PROTON PUMP INHIBITOR, ORAL SOLID PREPARATION COMPRISING SAME, AND PREPARATION METHOD THEREFOR ATP6AP1, ATP6V1G1, ATP6V1H MAPT 3377/4885CYP2C9 670/4885ALDH1A1 2397/4885

“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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