SCHEMBL5582815

SCHEMBL5582815

CN(C(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 1/20 0.60
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
SRD5A2 P31213 1/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
RXRA P19793 2/20 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
SCHEMBL27558112 0.89 CHRNB2 (0.56) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL10685331 0.88 ALDH1A1 (0.57) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL19918329 0.88 ALDH1A1 (0.57) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL12835337 0.88 ALDH1A1 (0.55) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL12173013 0.86 ALDH1A1 (0.54) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL5700875 0.85 ALDH1A1 (0.52) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL5858822 0.84 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKMT2ASLC6A2
SCHEMBL6982978 0.83 ALDH1A1 (0.51) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL9268753 0.82 ALDH1A1 (0.50) ALDH1A1HPGDMAPTLMNAKMT2A
SCHEMBL7296240 0.82 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005638-A Pyrazolo [3,4-d ] pyrimidine structure-containing compound, and preparation method and application thereof 西安新通药物研究股份有限公司 2024-05-10 CN disclosed
US-20220241429-A1 Antifolate-Carrying Nanoparticles and Their Use in Medicine MIDATECH LTD (GB) 2022-08-04 US disclosed
US-20220047718-A1 Nanoparticle-Based Therapy of Inflammatory Disorders MIDATECH LTD (GB) 2022-02-17 US disclosed
WO-2020120785-A1 ANTIFOLATE-CARRYING NANOPARTICLES AND THEIR USE IN MEDICINE MIDATECH LTD (GB) 2020-06-18 WO disclosed
WO-2018037120-A1 PRODRUGS ACTIVATED BY REACTIVE OXYGEN SPECIES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES AND CANCER DANMARKS TEKNISKE UNIVERSITET (DK) 2018-03-01 WO disclosed
WO-2018037120-A1 PRODRUGS ACTIVATED BY REACTIVE OXYGEN SPECIES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES AND CANCER DANMARKS TEKNISKE UNIVERSITET (DK) 2018-03-01 WO disclosed
US-9255072-B2 Pyrazole compounds and thiazole compounds as protein kinases inhibitors National Health Rsearch Institutes (TW) 2016-02-09 US disclosed
US-9255072-B2 Pyrazole compounds and thiazole compounds as protein kinases inhibitors National Health Rsearch Institutes (TW) 2016-02-09 US disclosed
US-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-09-06 US disclosed
US-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-09-06 US disclosed
US-6294557-B1 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 US disclosed
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists ITO FUMITAKA (JP) 2001-09-06 US disclosed
US-20010014683-A1 Analgesics; side effect reduction ITO FUMITAKA (JP) 2001-08-16 US disclosed
US-20010011091-A1 Analgesics ITO FUMITAKA (JP) 2001-08-02 US disclosed
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 US disclosed
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease ITO FUMITAKA (JP) 2001-07-19 US disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed
US-6201007-B1 OPIOID KAPPA RECEPTOR AGONISTS; ANALGESICS, ANESTHETICS, NEUROPROTECTIVE AND ANTIINFLAMMATORY AGENTS; STROKES, GASTROINTESTINAL DISORDERS PFIZER INC. 2001-03-13 US disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 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 (8 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-20120225880-A1 PYRAZOLE COMPOUNDS AND THIAZOLE COMPOUNDS AS PROTEIN KINASES INHIBITORS FLT4, AURKB, AURKA ALDH1A1 3340/4885HPGD 4352/4885MAPT 2355/4885
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 ALDH1A1 842/4885HPGD 399/4885MAPT 1579/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 ALDH1A1 797/4885HPGD 1082/4885MAPT 2858/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 ALDH1A1 2841/4885HPGD 1798/4885MAPT 3756/4885
US-20220047718-A1 Nanoparticle-Based Therapy of Inflammatory Disorders MTX1, LANCL1, CD44 ALDH1A1 587/4885HPGD 755/4885MAPT 373/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 ALDH1A1 851/4885HPGD 1278/4885MAPT 3404/4885
US-20220241429-A1 Antifolate-Carrying Nanoparticles and Their Use in Medicine FOLR1, FOLR2, SLC19A1 ALDH1A1 111/4885HPGD 1636/4885MAPT 1643/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 ALDH1A1 1095/4885HPGD 1269/4885MAPT 2088/4885

“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.