SCHEMBL3537771

SCHEMBL3537771

CC(C)(C)c1ccc(-c2nc(C(=O)O)cs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
HPGDS O60760 1/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PTPN1 P18031 1/20 0.48
PLA2G10 O15496 1/20 0.48
MAPT P10636 1/20 0.48
ACHE P22303 1/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 1/20 0.47
HPGD P15428 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
SCHEMBL3533598 0.84 ALDH1A1 (0.65) ALDH1A1HPGDSKDM4EPTPN1PLA2G10
SCHEMBL3098211 0.82 ALDH1A1 (1.00) ALDH1A1HPGDSRAB9ANPC1POLB
SCHEMBL31734470 0.81 ALDH1A1 (0.47) ALDH1A1HPGDSKDM4EPLA2G10ACHE
Hydrochloric Acid SCHEMBL6822031 0.81 ALDH1A1 (0.97) ALDH1A1HPGDSRAB9ANPC1POLB
SCHEMBL10037333 0.81 ALDH1A1 (0.64) ALDH1A1HPGDSRAB9ANPC1POLB
SCHEMBL1660221 0.80 RAB9A (0.66) ALDH1A1RAB9ANPC1POLBKDM4E
SCHEMBL2104811 0.80 ALDH1A1 (0.73) ALDH1A1HPGDSRAB9ANPC1KDM4E
SCHEMBL1785557 0.80 ALDH1A1 (0.73) ALDH1A1HPGDSRAB9ANPC1POLB
SCHEMBL26319518 0.80 ALDH1A1 (0.73) ALDH1A1HPGDSRAB9ANPC1KDM4E
SCHEMBL352152 0.80 HPGDS (0.73) ALDH1A1HPGDSRAB9ANPC1KDM4E

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
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 ALDH1A1 707/4885HPGDS 1602/4885RAB9A 3912/4885

“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.