SCHEMBL22213613

SCHEMBL22213613

O=C(Nc1ccc(OCc2ccc3ccccc3c2)cc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.57
NPC1 O15118 2/20 0.56
MAPT P10636 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.54
LTC4S Q16873 1/20 0.53
DHODH Q02127 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC16A3 O15427 1/20 0.52
MYC P01106 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
RAB9A P51151 1/20 0.51
IGF2BP2 Q9Y6M1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SERPINE1 P05121 1/20 0.50
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL22213632 0.94 NPC1 (0.57) NR1H4NPC1MAPTMRGPRX4LTC4S
SCHEMBL22213507 0.89 NPC1 (0.54) NR1H4NPC1MAPTMRGPRX4DHODH
SCHEMBL22213559 0.89 KDM4E (0.57) NR1H4NPC1MAPTMEN1KMT2A
SCHEMBL27060795 0.88 MAPT (0.53) NR1H4NPC1MAPTMEN1KMT2A
SCHEMBL22762665 0.86 MEN1 (0.54) NPC1MAPTMRGPRX4MEN1KMT2A
SCHEMBL22213622 0.84 KDM4E (0.57) NR1H4NPC1MAPTMRGPRX4CASP3
SCHEMBL19554280 0.81 IGF2BP2 (0.58) NR1H4NPC1MAPTDHODHSLC16A3
SCHEMBL26358092 0.80 NR1H4 (0.57) NR1H4NPC1MAPTMEN1KMT2A
SCHEMBL26358107 0.79 MRGPRX4 (0.59) NPC1MAPTMRGPRX4MEN1KMT2A
SCHEMBL22762666 0.79 MCL1 (0.60) MAPTMRGPRX4MEN1KMT2ASLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20200383967-A1 Novel Anthranilic Acid-Based Compound, and Pin1 Inhibitor, Therapeutic Agent for Inflammatory Diseases and Therapeutic Agent for Cancer That Use the Same HIROSHIMA UNIVERSITY (JP) 2020-12-10 US disclosed
EP-3680232-A1 NOVEL ANTHRANILIC ACID-BASED COMPOUND, AND Pin1 INHIBITOR, THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES AND THERAPEUTIC AGENT FOR CANCER THAT USE THE SAME Hiroshima University (JP) 2020-07-15 EP 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 (2 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-20200383967-A1 Novel Anthranilic Acid-Based Compound, and Pin1 Inhibitor, Therapeutic Agent for Inflammatory Diseases and Therapeutic Agent for Cancer That Use the Same PIN1, NFKBIA, FKBP1A NR1H4 507/4885NPC1 1045/4885MAPT 775/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE NR1H4 1665/4885NPC1 378/4885MAPT 261/4885

“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.