SCHEMBL5437533

SCHEMBL5437533

CNC(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.61
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FFAR1 O14842 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
AGBL2 Q5U5Z8 1/20 0.52
NR1H4 Q96RI1 3/20 0.50
HPSE Q9Y251 1/20 0.49
AKR1B1 P15121 1/20 0.48
BRD4 O60885 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL25810523 0.83 SLC7A5 (0.55) SLC7A5HDAC8HDAC6MRGPRX4MEN1
SCHEMBL11818 0.82 PLK1 (0.61) SLC7A5HDAC8HDAC6MRGPRX4MEN1
SCHEMBL1569614 0.82 SLC7A5 (0.60) SLC7A5HDAC8HDAC6MRGPRX4MEN1
SCHEMBL1569612 0.82 SLC7A5 (0.60) SLC7A5HDAC8HDAC6MRGPRX4MEN1
SCHEMBL31310149 0.81 MRGPRX4 (0.49) HDAC8HDAC6MRGPRX4MEN1KMT2A
SCHEMBL246858 0.81 SLC7A5 (0.59) SLC7A5HDAC8HDAC6MRGPRX4MEN1
SCHEMBL2536532 0.81 SLC7A5 (0.59) SLC7A5HDAC8HDAC6MRGPRX4MEN1
SCHEMBL6388386 0.81 LOXL2 (0.65) SLC7A5HDAC8HDAC6MRGPRX4ALDH1A1
SCHEMBL16103849 0.81 SLC7A5 (0.59) SLC7A5HDAC8HDAC6MRGPRX4MEN1
SCHEMBL14541727 0.81 SLC7A5 (0.59) SLC7A5HDAC8HDAC6MRGPRX4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264128-A Thiadiazole and pyridazine parent nucleus compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-01-07 CN disclosed
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
US-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-07-13 US disclosed
CN-115340555-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-11-15 CN disclosed
CN-113173924-B Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2022-07-19 CN disclosed
CN-113173924-A Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2021-07-27 CN disclosed
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-29 US disclosed
EP-3307715-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
CN-107848974-A Aromatic sulfonamide derivatives 拜耳制药股份公司 2018-03-27 CN disclosed
WO-2016198374-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO disclosed
US-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) ASTRAZENECA AB (SE) 2007-04-26 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-20230219961-A1 Pyridine acetamide derivative serving as CDK inhibitor, and preparation method therefor and use thereof CDK9, CDK7, CDK8 SLC7A5 4282/4885HDAC8 58/4885HDAC6 884/4885
US-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) MPO, XDH, EPX SLC7A5 4201/4885HDAC8 1543/4885HDAC6 543/4885
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES ARSA, SULT2A1, TPST2 SLC7A5 1140/4885HDAC8 1244/4885HDAC6 861/4885

“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.