Sugi Predict

Sugi Predict / Compounds / SCHEMBL558914

SCHEMBL558914

SCHEMBL558914

O=C(Cl)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ CNR2 P34972 2/20 0.50
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL5512144 0.94 RXRA (0.56) PIK3CAHDAC1HDAC8CNR2CES2
SCHEMBL4305804 0.83 PIK3CA (0.56) PIK3CAHDAC1HDAC8CNR2CES2
SCHEMBL4194796 0.82 CA2 (0.46) CES2CES1
SCHEMBL267205 0.81 RXRA (0.68) PIK3CAHDAC1HDAC8CNR2CES2
SCHEMBL15515090 0.81 PIK3CA (0.54) PIK3CAHDAC1HDAC8CNR2CES2
SCHEMBL106691 0.80 FFAR1 (0.54) HDAC1HDAC8CES2CES1SRD5A2
SCHEMBL9000580 0.80 CNR2 (0.38) PIK3CAHDAC1HDAC8CNR2CES1
SCHEMBL6714127 0.79 PIK3CA (0.53) PIK3CAHDAC1HDAC8CNR2CES2
Hydrochloric Acid SCHEMBL2528774 0.79 RXRA (0.66) PIK3CAHDAC1HDAC8CNR2PSEN1
SCHEMBL3329702 0.79 CES2 (0.48) CES2PSEN1PSEN2APH1BNCSTN

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 205 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 — — US disclosed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 — — EP disclosed
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 — — CN disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
CN-112174869-B Preparation method and medicinal application of N-phenylacetyl-2-hydroxymethyl pyrrolidine-2-formamide 蔡霈 2023-04-25 — — CN disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 — — US disclosed
EP-4069252-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES Academia Sinica (CN) 2022-10-12 — — EP disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 — — CN disclosed
CN-112390751-B Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2022-07-05 — — CN disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP disclosed
EP-0228675-A2 New phenylacetaldehydes and a process for the production of phenylacetaldehydes BASF Aktiengesellschaft (DE) 1987-07-15 — — EP disclosed
EP-0048045-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 — — EP disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 — — US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 — — US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 — — US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 — — US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 — — US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 — — US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 — — 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 (3 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-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 PIK3CA 3569/4885HDAC1 2870/4885HDAC8 3118/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R PIK3CA 4468/4885HDAC1 458/4885HDAC8 770/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 PIK3CA 3973/4885HDAC1 1968/4885HDAC8 1983/4885

“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.