SCHEMBL381428

SCHEMBL381428

Nc1ccc2c(c1)CCN(C(=O)O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
HSD17B3 P37058 1/20 0.48
ESR2 Q92731 5/20 0.47
ESR1 P03372 4/20 0.47
TMPRSS2 O15393 2/20 0.44
NOTUM Q6P988 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL396130 0.93 NR1H2 (0.63) NR1H2HSD17B3ESR2ESR1TMPRSS2
SCHEMBL17797626 0.90 BRD4 (0.49) NR1H2HSD17B3ESR2ESR1TMPRSS2
SCHEMBL17797658 0.90 NR1H2 (0.55) NR1H2HSD17B3ESR2ESR1TMPRSS2
SCHEMBL1393814 0.86 NR1H2 (0.50) NR1H2HSD17B3ESR2NOTUMHDAC8
SCHEMBL3858227 0.85 NOTUM (0.63) NR1H2HSD17B3ESR2ESR1TMPRSS2
SCHEMBL17797666 0.84 NR1H2 (0.53) NR1H2HSD17B3ESR2ESR1HDAC8
SCHEMBL6972828 0.83 HPGD (0.56) NR1H2TMPRSS2CA1CA2CA7
SCHEMBL4503991 0.83 HDAC6 (0.59) NR1H2HSD17B3ESR2ESR1HDAC6
SCHEMBL4179872 0.81 ESR2 (0.72) NR1H2HSD17B3ESR2ESR1NOTUM
SCHEMBL6962549 0.81 HDAC6 (0.65) NR1H2HSD17B3ESR2ESR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025071172-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR TUMORS COMPRISING SAME 주식회사 대웅제약 2025-04-03 WO disclosed
CN-118203585-A Pharmaceutical use of ENPP1 inhibitors 上海翊石医药科技有限公司 2024-06-18 CN disclosed
CN-117836299-A Novel bifunctional heterocyclic compounds with Bruton tyrosine kinase decomposition via ubiquitin proteasome pathway and uses thereof 韩国化学研究院 2024-04-05 CN disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
CN-111094253-B 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-one analogs 里科瑞尔姆IP控股有限责任公司 2023-08-29 CN disclosed
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
US-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC (US) 2023-04-06 US disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed
CN-115515589-A ULK1/2 inhibitors and methods of use thereof 萨克生物研究学院 2022-12-23 CN disclosed
CN-115279370-A Compounds for targeted degradation of BRD9 C4医药公司 2022-11-01 CN disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
WO-2009145899-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2009-12-03 WO disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
CN-101454289-A Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR (ES) 2009-06-10 CN disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed
CN-101137630-A Non-anilinic derivatives of isothiazol-3(2h)-thione 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 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 (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-20230109104-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 NR1H2 4452/4885HSD17B3 2804/4885ESR2 3367/4885
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 NR1H2 27/4885HSD17B3 1111/4885ESR2 218/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 NR1H2 3830/4885HSD17B3 1619/4885ESR2 4327/4885

“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.