SCHEMBL3157880

SCHEMBL3157880

CC1N(C(=O)OC(C)(C)C)CCCC1(C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33

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
SCHEMBL21408159 0.81 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2NPC1HSD11B1
SCHEMBL16031033 0.80 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2NPC1HSD11B1
SCHEMBL16031037 0.80 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2NPC1HSD11B1
SCHEMBL16148112 0.80 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2NPC1HSD11B1
SCHEMBL16031035 0.77 HSD17B10 (0.39) HSD17B10HPGDSMN1; SMN2NPC1HSD11B1
SCHEMBL24845877 0.74 HSD17B10 (0.39) HSD17B10MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL27172955 0.74 HSD17B10 (0.39) HSD17B10MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL21408122 0.74 USP2 (0.39) HSD17B10HPGDSMN1; SMN2HSD11B1NR1H2
SCHEMBL1643826 0.74 USP2 (0.39) HSD17B10HPGDSMN1; SMN2HSD11B1NR1H2
SCHEMBL17631948 0.74 HSD17B10 (0.38) HSD17B10HPGDSMN1; SMN2HSD11B1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828182-B1 THERAPEUTIC PYRAZOLO[3,4-B]PYRIDINES AND INDAZOLES WARNER LAMBERT CO (US) 2010-03-10 — — EP disclosed
US-7485636-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles PFIZER INC. (US) 2009-02-03 — — US disclosed
US-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles WARNER LAMBERT COMPANY LLC (US) 2008-11-27 — — US disclosed
US-7423054-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER LAMBERT COMPANY LLC (US) 2008-09-09 — — US disclosed
CN-101111494-A Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER LAMBERT CO (US) 2008-01-23 — — CN disclosed
EP-1828182-A2 THERAPEUTIC PYRAZOLO[3,4-B]PYRIDINES AND INDAZOLES Warner-Lambert Company LLC (US) 2007-09-05 — — EP disclosed
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-09-28 — — US disclosed
WO-2006056873-A2 THERAPEUTIC PYRAZOLO[3,4-B] PYRIDINES AND INDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2006-06-01 — — WO disclosed
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-06-01 — — 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 (3 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-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles P2RX3, P2RX4, ACHE HSD17B10 3445/4885MEN1 4701/4885KMT2A 3451/4885
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles P2RX3, P2RX4, ACHE HSD17B10 3445/4885MEN1 4701/4885KMT2A 3451/4885
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles P2RX3, P2RX4, ACHE HSD17B10 3445/4885MEN1 4701/4885KMT2A 3451/4885

“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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