SCHEMBL22822802

SCHEMBL22822802

O=C(NC(Cc1ccc(F)cc1)C(=O)NCCCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CTSL P07711 5/20 0.52
▸ CTSS P25774 4/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSB P07858 2/20 0.52
▸ PIN1 Q13526 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ TACR2 P21452 1/20 0.47
▸ GRIA1 P42261 1/20 0.47

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
SCHEMBL20777212 1.00 NPC1 (0.55) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL20777169 0.91 CTSL (0.49) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL20777178 0.90 CTSL (0.52) CTSLCTSSCTSKCTSBPIN1
SCHEMBL20777199 0.90 CTSL (0.52) CTSLCTSSCTSKCTSBPIN1
SCHEMBL20777202 0.90 CTSL (0.52) CTSLCTSSCTSKCTSBPIN1
SCHEMBL24119968 0.86 NPC1 (0.60) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL20777173 0.86 NPC1 (0.60) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL20777175 0.83 CTSL (0.47) CTSLCTSSCTSKCTSBPIN1
SCHEMBL22822786 0.83 NPC1 (0.48) NPC1RAB9ACTSLMAPT
SCHEMBL22823038 0.83 CTSL (0.47) CTSLCTSSCTSKCTSBPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2021-12-23 — — US disclosed
US-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2020-12-24 — — 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 (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-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A NPC1 1443/4885RAB9A 1223/4885CTSL 4334/4885
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A NPC1 1443/4885RAB9A 1223/4885CTSL 4334/4885

“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.

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