SCHEMBL19283166

SCHEMBL19283166

COc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
ACP1 P24666 3/20 0.52
BACE1 P56817 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
NR1H4 Q96RI1 1/20 0.45
NT5E P21589 1/20 0.45
DHFR P00374 2/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
RUVBL1 Q9Y265 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL4486496 0.83 KDM4E (0.70) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL22409572 0.83 KDM4E (0.57) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL18425686 0.81 ACP1 (0.50) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL26613402 0.80 BACE1 (0.56) KDM4ERAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL28247825 0.79 KDM4E (0.64) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL30228591 0.78 NPC1 (0.58) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL14872143 0.77 KDM4E (0.56) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL29473431 0.77 KDM4E (0.60) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL12393772 0.77 KDM4E (0.85) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL12068389 0.77 NCF1 (0.51) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1

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-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY (US) 2022-01-11 US disclosed
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2020-09-17 US disclosed
US-10626094-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 US disclosed
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2017-08-31 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 (4 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-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof ACP1, PTPRCAP, PTPA KDM4E 920/4885RAB9A 2671/4885ALDH1A1 2399/4885
US-10626094-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof ACP1, PTPRCAP, PTPA KDM4E 920/4885RAB9A 2671/4885ALDH1A1 2399/4885
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA KDM4E 920/4885RAB9A 2671/4885ALDH1A1 2399/4885
US-20170247340-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA KDM4E 920/4885RAB9A 2671/4885ALDH1A1 2399/4885

“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.