SCHEMBL17871637

SCHEMBL17871637

O=C(NCC1CCCO1)c1ncc(-c2ccccc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.64
▸ RAB9A P51151 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ POLB P06746 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ ATM Q13315 2/20 0.55
▸ USP30 Q70CQ3 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ ALOX12 P18054 1/20 0.54

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
SCHEMBL29687327 0.79 HPGD (1.00) HPGDRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL743611 0.79 HPGD (1.00) HPGDRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL30678539 0.79 HPGD (1.00) HPGDRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL16334901 0.77 RAB9A (1.00) HPGDRAB9AKMT2ANPC1LMNA
SCHEMBL16333352 0.77 RAB9A (1.00) HPGDRAB9AKMT2ANPC1LMNA
SCHEMBL16333354 0.77 RAB9A (1.00) HPGDRAB9AKMT2ANPC1LMNA
SCHEMBL12942542 0.75 HPGD (0.64) HPGDRAB9AKMT2ANPC1LMNA
SCHEMBL16496127 0.74 HPGD (0.62) HPGDRAB9AKMT2ANPC1LMNA
SCHEMBL22573496 0.74 HPGD (0.59) HPGDRAB9AKMT2ANPC1LMNA
SCHEMBL3460707 0.74 ALDH1A1 (0.58) HPGDRAB9AKMT2ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392378-B2 Derivatives of 5-phenyl- or 5-heteroarylathiazol-2-carboxylic amide useful for the treatment of inter alia cystic fibrosis PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-10392378-B2 Derivatives of 5-phenyl- or 5-heteroarylathiazol-2-carboxylic amide useful for the treatment of inter alia cystic fibrosis PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20170369482-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLATHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. 2017-12-28 — — US disclosed
US-20170369482-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLATHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. 2017-12-28 — — US disclosed
WO-2016105477-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLTHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC (US) 2016-06-30 — — WO disclosed
WO-2016105477-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLTHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC (US) 2016-06-30 — — 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 (2 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-10392378-B2 Derivatives of 5-phenyl- or 5-heteroarylathiazol-2-carboxylic amide useful for the treatment of inter alia cystic fibrosis CFTR, ABCC5, ABCB1 HPGD 921/4885RAB9A 917/4885KMT2A 3408/4885
US-20170369482-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLATHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS CFTR, ABCC5, ABCB1 HPGD 921/4885RAB9A 917/4885KMT2A 3408/4885

“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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