SCHEMBL14976787

SCHEMBL14976787

Cc1nnc(Cc2cccc(CC(=O)O)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21368786 0.80 RAB9A (0.42) GLSRAB9ANPC1L3MBTL1POLB
SCHEMBL12597232 0.78 RAB9A (0.60) RAB9ANPC1L3MBTL1SMN1; SMN2HPGD
SCHEMBL14977595 0.76 GLS (0.48) GLSHSD17B10RAB9ANPC1L3MBTL1
SCHEMBL15332460 0.74 HSD17B10 (0.46) HSD17B10RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL70565 0.74 AKR1B1 (0.71) GLSHSD17B10POLBLMNAGAA
SCHEMBL12863944 0.74 PTK2 (0.57) HSD17B10RAB9ATP53SMN1; SMN2LMNA
SCHEMBL1825490 0.73 PARP1 (0.50) GLSHSD17B10RAB9ANPC1L3MBTL1
SCHEMBL2436237 0.73 HPGD (0.57) HSD17B10RAB9AL3MBTL1POLBSMN1; SMN2
SCHEMBL4557746 0.72 AKR1B1 (0.64) GLSHSD17B10POLBLMNAGAA
Hydrochloric Acid SCHEMBL8922940 0.72 AKR1B1 (0.68) GLSHSD17B10POLBLMNAGAA

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108785305-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2021-10-29 — — CN disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 — — US disclosed
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 — — US disclosed
EP-3620162-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE Calithera Biosciences Inc. (US) 2020-03-11 — — EP disclosed
CN-104220070-B Heterocyclic inhibitors of glutaminase 卡利泰拉生物科技公司 2020-01-21 — — CN disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 — — US disclosed
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. 2019-10-17 — — US disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 — — EP disclosed
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 — — EP disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 — — US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 — — US disclosed
US-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2014-02-20 — — US disclosed
US-8604016-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES INC. (US) 2013-12-10 — — US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 — — US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 — — US disclosed
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-06-20 — — US disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 — — WO disclosed
WO-2013078123-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC. (US) 2013-05-30 — — WO disclosed
WO-2013076194-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING AIRWAY HYPERRESPONSE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2013-05-30 — — 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 (4 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-20140050699-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885RAB9A 1977/4885
US-20190315733-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885RAB9A 1977/4885
US-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885RAB9A 1977/4885
US-20130157998-A1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885HSD17B10 521/4885RAB9A 1977/4885

“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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