SCHEMBL8749833

SCHEMBL8749833

Cc1cccc([C@@H](N)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.50
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
ACP3 P15309 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
GRM4 Q14833 1/20 0.50
GRM1 Q13255 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
GRM2 Q14416 2/20 0.47
PARP1 P09874 1/20 0.46

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
SCHEMBL28243743 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL5293096 1.00 HSD17B10 (0.50) HSD17B10TDP1MEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL19717652 0.98 HSD17B10 (0.49) HSD17B10TDP1MEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL28764410 0.98 HSD17B10 (0.49) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL1352192 0.85 PARP1 (0.50) HSD17B10TDP1ACP3PARP1CYP1A2
SCHEMBL20844696 0.85 PARP1 (0.50) HSD17B10TDP1ACP3PARP1CYP1A2
SCHEMBL1352191 0.85 PARP1 (0.50) HSD17B10TDP1ACP3PARP1CYP1A2
Hydrochloric Acid SCHEMBL28755174 0.83 PARP1 (0.48) HSD17B10TDP1ACP3PARP1
SCHEMBL10956210 0.83 PARP1 (0.46) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL6120391 0.83 CYP2C19 (0.52) HSD17B10TDP1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
EP-4126876-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-02-08 EP disclosed
WO-2021202796-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 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 (5 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HSD17B10 3314/4885TDP1 1330/4885MEN1 4292/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HSD17B10 3314/4885TDP1 1330/4885MEN1 4292/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HSD17B10 3314/4885TDP1 1330/4885MEN1 4292/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HSD17B10 3314/4885TDP1 1330/4885MEN1 4292/4885
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM HSD17B10 2914/4885TDP1 1098/4885MEN1 4414/4885

“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.