SCHEMBL22831700

SCHEMBL22831700

CCC(=O)N1CCC(c2ccc3c(c2)OCO3)C(O)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
EDNRB P24530 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6042649 0.85 ALDH1A1 (0.45) KDM4EMAPTALDH1A1
SCHEMBL20989275 0.84 RAB9A (0.39) EPHX2NPC1RAB9ALMNAKDM4E
SCHEMBL20988745 0.76 SCD5 (0.38) ALDH1A1
SCHEMBL20989056 0.76 CYP2C19 (0.47) ALDH1A1
SCHEMBL6958385 0.75 MAPT (0.41) KDM4EMAPTALDH1A1
SCHEMBL20989118 0.73 POLB (0.40) NPC1RAB9AMAPTEDNRBALDH1A1
SCHEMBL3415324 0.73 NPC1 (0.47) NPC1RAB9AMAPT
SCHEMBL20989281 0.73 OXTR (0.47) LMNAALDH1A1
SCHEMBL20988802 0.73 ALDH1A1 (0.46) LMNAALDH1A1
SCHEMBL6954030 0.73 MAPT (0.39) NPC1RAB9ALMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344559-B2 PI3KGAMMA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-31 US disclosed
US-11344559-B2 PI3KGAMMA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-31 US disclosed
US-20200405730-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-31 US disclosed
US-20200405730-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-31 US disclosed
WO-2020264120-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-30 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 (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-20200405730-A1 PI3KGAMMA INHIBITORS PIK3R5, PI4KB, PIK3R4 EPHX2 3901/4885NPC1 3286/4885RAB9A 772/4885
US-11344559-B2 PI3KGAMMA inhibitors PIK3R5, PI4KB, PIK3R4 EPHX2 3901/4885NPC1 3286/4885RAB9A 772/4885

“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.