Sugi Predict

Sugi Predict / Compounds / SCHEMBL21991994

SCHEMBL21991994

SCHEMBL21991994

COc1cc(OCCC(C)(C)C(=O)OC(C)C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.39
▸ PARP15 Q460N3 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL21991917 0.88 DGAT1 (0.39) HCRTR2PARP15PARP10HIF1AGRM4
SCHEMBL21991947 0.88 BACE1 (0.41) HCRTR2PARP15PARP10BACE1MEN1
SCHEMBL21991935 0.84 FBP1 (0.41) PARP15PARP10ABCB11CYP1A2CYP3A4
SCHEMBL21991944 0.84 PPARA (0.49) PARP15PARP10CYP1A2CYP2C9TSHR
SCHEMBL21991919 0.82 PPARA (0.49) CYP1A2MAPTCYP2C9HPGDCYP2C19
SCHEMBL21991337 0.81 SMN1; SMN2 (0.43) LMNAMAPTPPARASMN1; SMN2
SCHEMBL21991801 0.80 PDE3B (0.42) HCRTR2PARP15PARP10HIF1AGRM4
SCHEMBL21991750 0.79 CYP1A2 (0.53) GRM4MEN1USP2ABCB11LMNA
SCHEMBL21991582 0.78 PPARA (0.52) MEN1USP2ABCB11LMNACYP1A2
SCHEMBL21991576 0.76 PPARA (0.52) MEN1PPARGKMT2APPARACYP1A1

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 HCRTR2 4324/4885PARP15 1242/4885PARP10 1430/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 HCRTR2 4324/4885PARP15 1242/4885PARP10 1430/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HCRTR2 4324/4885PARP15 1242/4885PARP10 1430/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HCRTR2 4324/4885PARP15 1242/4885PARP10 1430/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HCRTR2 4324/4885PARP15 1242/4885PARP10 1430/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HCRTR2 4324/4885PARP15 1242/4885PARP10 1430/4885

“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.