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Sugi Predict / Compounds / SCHEMBL21992012

SCHEMBL21992012

SCHEMBL21992012

CCOC(=O)CC(C)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
SCHEMBL21991568 0.96 NOS3 (0.44) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL10877525 0.90 PTPN1 (0.39) NPC1RAB9ASMN1; SMN2PTPN1PPARG
SCHEMBL11000197 0.89 FNTA (0.39) NPC1RAB9ASMN1; SMN2PTPN1PPARG
SCHEMBL21991320 0.88 NPC1 (0.41) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL11004141 0.88 THRB (0.40) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL21991365 0.87 FFAR1 (0.55) PPARGMAOBFFAR1
SCHEMBL21991999 0.87 FNTA (0.43) PPARGPPARAFNTAFNTB
SCHEMBL10878269 0.86 CYP1A1 (0.38) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL21991600 0.86 PPARG (0.41) PPARGPPARAMAOBFNTAFNTB
SCHEMBL11000821 0.85 PTPN1 (0.39) NOS3NOS1NOS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 — — US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 — — US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 — — US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 — — US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 — — US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 — — 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NOS3 870/4885NOS1 877/4885NOS2 1359/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 NOS3 870/4885NOS1 877/4885NOS2 1359/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NOS3 870/4885NOS1 877/4885NOS2 1359/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NOS3 870/4885NOS1 877/4885NOS2 1359/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NOS3 870/4885NOS1 877/4885NOS2 1359/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NOS3 870/4885NOS1 877/4885NOS2 1359/4885

“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.