Sugi Predict

Sugi Predict / Compounds / SCHEMBL3394308

SCHEMBL3394308

SCHEMBL3394308

FC(F)(F)c1nnc(S)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ HTT P42858 6/20 0.37
▸ LMNA P02545 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ S1PR2 O95136 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ XBP1 P17861 1/20 0.31

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
SCHEMBL31339479 0.80 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL299775 0.70 ALDH1A1 (0.54) ALDH1A1CA1CA2CA4CA5A
SCHEMBL5074604 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL5077071 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL2631871 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL7829285 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL5077077 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL294025 0.68 ALDH1A1 (1.00) ALDH1A1CA1CA2CA4CA5A
SCHEMBL701494 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL2879537 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172197-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 — — US claimed
US-4147693-A βLactam antibiotics and process for their use BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 — — US claimed
EP-3164406-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2024-12-25 — — EP disclosed
US-10206937-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2019-02-19 — — US disclosed
EP-3181558-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2017-06-21 — — EP disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
EP-3164406-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-05-10 — — EP disclosed
WO-2016142918-A1 PYRAZOLE DERIVATIVES AND RELATIVE USE FOR THE PREPARATION OF 1,3,4-THIADIAZOLES ISAGRO S.P.A. (IT) 2016-09-15 — — WO disclosed
WO-2016003929-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-01-07 — — WO disclosed
WO-2010123997-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-28 — — WO disclosed
WO-2010123997-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-28 — — WO disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4029806-A Nitro-β-lactam antibiotics and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-06-14 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 — — US disclosed
US-4012518-A PENICILLIN DERIVATIVES AS GROWTH AND FEED UTILIZATION PROMOTERS IN ANIMALS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-15 — — US disclosed
US-3968226-A 3-Heterocyclic thiomethylcephalosporins as antibacterial agents SMITHKLINE CORPORATION (US) 1976-07-06 — — US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — 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-10206937-B2 Boronic acid derivatives and therapeutic uses thereof BCL6B, BTD, BCL6 ALDH1A1 1999/4885CA1 1317/4885CA2 287/4885
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 ALDH1A1 1999/4885CA1 1317/4885CA2 287/4885

“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.