SCHEMBL21826652

SCHEMBL21826652

O=C(O)c1cc(O)ncc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
KDM4E B2RXH2 3/20 0.40
PTPN1 P18031 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 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
Formic Acid SCHEMBL21351973 0.93 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL2249284 0.81 HSD17B10 (0.43) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL8220004 0.79 KDM4E (0.60) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL23854026 0.78 CA1 (0.45) HSD17B10TSHRLCKKDM4EPTPN1
SCHEMBL22717759 0.78 KDM4E (0.44) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL1998749 0.78 NAPRT (0.42) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL14901955 0.78 HSD17B10 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL4790109 0.78 GABRP (0.56) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL31220104 0.78 NAPRT (0.42) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL15814434 0.77 CA12 (0.41) HSD17B10TSHRKDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
CN-102321016-B Synthesis method of 5-bromo-2-methyl hydroxypyridinecarboxylate SHANDONG INST LIGHT INDUSTRY 2013-04-10 CN disclosed
CN-102321016-A Synthesis method of 5-bromo-2-methyl 4-hydroxypyridinecarboxylate SHANDONG INST LIGHT INDUSTRY 2012-01-18 CN 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL AKR1C4 4167/4885AKR1C3 3736/4885AKR1C2 4123/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL AKR1C4 4167/4885AKR1C3 3736/4885AKR1C2 4123/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 AKR1C4 4528/4885AKR1C3 4235/4885AKR1C2 4428/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 AKR1C4 4528/4885AKR1C3 4235/4885AKR1C2 4428/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 AKR1C4 4528/4885AKR1C3 4235/4885AKR1C2 4428/4885

“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.