Sugi Predict

Sugi Predict / Compounds / SCHEMBL3402693

SCHEMBL3402693

SCHEMBL3402693

Cc1c(C(=O)O)nnn1-c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.77
▸ HTT P42858 1/20 0.73
▸ TP53 P04637 4/20 0.56
▸ CA2 P00918 4/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CA4 P22748 1/20 0.53
▸ ALOX12 P18054 1/20 0.51
▸ CA12 O43570 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 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
SCHEMBL20604184 0.87 HTT (0.78) PTGS2HTTTP53CA2CA1
SCHEMBL8000688 0.86 PTGS2 (0.75) PTGS2HTTTP53CA2CA1
SCHEMBL32889301 0.85 PTGS2 (0.82) PTGS2HTTTP53CA2CA1
SCHEMBL4771303 0.85 HTT (1.00) PTGS2HTTTP53CA2CA1
SCHEMBL17260096 0.84 PTGS2 (0.77) PTGS2HTTTP53CA2CA1
SCHEMBL16697767 0.84 HTT (0.73) PTGS2HTTTP53CA2CA1
SCHEMBL13754541 0.83 PTGS2 (0.71) PTGS2HTTTP53CA2CA1
SCHEMBL3406088 0.83 PTGS2 (0.71) PTGS2HTTTP53CA2CA1
SCHEMBL2553499 0.83 PTGS2 (0.78) PTGS2HTTTP53CA2CA1
SCHEMBL3400920 0.82 HTT (0.61) PTGS2HTTTP53CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 — — EP claimed
US-12180189-B2 Proteostasis regulators Kineta, Inc. (US) 2024-12-31 — — US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 — — US disclosed
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 — — US disclosed
US-10961261-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-03-30 — — US disclosed
US-10961261-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-03-30 — — US disclosed
US-20200299270-A1 PROTEOSTASIS REGULATORS Kineta, Inc. 2020-09-24 — — US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 — — US disclosed
US-20120316193-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-12-13 — — US disclosed
US-20120316193-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-12-13 — — US disclosed
US-20120316193-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-12-13 — — US disclosed
WO-2012154967-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 — — WO disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 — — WO disclosed
EP-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 — — EP disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 — — WO disclosed
WO-2009105746-A2 TRIAZOLES AND PROCESSES FOR PRODUCING THE SAME UNIVERSITY OF SOUTH FLORIDA (US) 2009-08-27 — — WO 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 (7 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-20200299270-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 PTGS2 4125/4885HTT 234/4885TP53 126/4885
US-11691992-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT PTGS2 827/4885HTT 4483/4885TP53 4500/4885
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX PTGS2 1118/4885HTT 4489/4885TP53 4700/4885
US-12180189-B2 Proteostasis regulators PSMG3, VCP, HSPA5 PTGS2 4125/4885HTT 234/4885TP53 126/4885
US-10961261-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT PTGS2 827/4885HTT 4483/4885TP53 4500/4885
US-20120316193-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 PTGS2 4125/4885HTT 234/4885TP53 126/4885
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G PTGS2 758/4885HTT 362/4885TP53 4837/4885

“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.