SCHEMBL4081652

SCHEMBL4081652

CCOC(=O)/C=C/c1cccc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
HSD17B3 P37058 1/20 0.61
SLC6A19 Q695T7 1/20 0.61
TTR P02766 1/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
POLB P06746 1/20 0.56
MAOB P27338 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL31408751 1.00 PKM (0.70) PKMHSD17B3SLC6A19TTRDPP4
SCHEMBL563301 1.00 PKM (0.70) PKMHSD17B3SLC6A19TTRDPP4
SCHEMBL4427602 0.89 TTR (0.69) PKMTTRDPP4MEN1KMT2A
SCHEMBL4427604 0.89 TTR (0.69) PKMTTRDPP4MEN1KMT2A
SCHEMBL1269502 0.84 TTR (0.63) PKMTTRDPP4MEN1KMT2A
SCHEMBL1269501 0.84 TTR (0.63) PKMTTRDPP4MEN1KMT2A
SCHEMBL2389918 0.84 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL3752885 0.84 CA12 (0.69) TTRDPP4CA12CA1CA2
SCHEMBL6495473 0.84 CYP3A4 (0.59) PKMTTRDPP4ALDH1A1MAPT
SCHEMBL6495475 0.84 CYP3A4 (0.59) PKMTTRDPP4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103491-A1 ARYL SUBSTITUTED POLYMYXIN DERIVATIVES SPERO THERAPEUTICS INC (US) 2026-04-16 US disclosed
US-12528837-B2 Aryl substituted polymyxin derivatives SPERO THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
CN-119241515-A Double-target inhibitor targeting LSD1 and EZH2 as well as preparation method and application thereof 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2025-01-03 CN disclosed
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 EP disclosed
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 EP disclosed
EP-4316504-A2 COMPOUNDS Spero Therapeutics, Inc. (US) 2024-02-07 EP disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
US-11773101-B2 GPR35 modulators PROMETHEUS BIOSCIENCES, INC. (US) 2023-10-03 US disclosed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed
US-5807866-A Process for preparing N-benzyl indoles THE UNIVERSITY OF EAST ANGLIA (GB) 1998-09-15 US disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
EP-0775694-A2 Process for preparing N-benzyl indoles University of East Anglia (GB) 1997-05-28 EP disclosed
US-5627189-A Insecticidal 5-substituted-2,4-diaminopyrimidine derivatives FMC CORPORATION (US) 1997-05-06 US disclosed
US-5587379-A CONTROLLING INSECTS IN AGRICULTURAL CROPS FMC CORPORATION (US) 1996-12-24 US disclosed
US-5521192-A TOBACCO BUDWORM, CABBAGE LOOPER, BEET ARMYWORM FMC CORPORATION (US) 1996-05-28 US disclosed
EP-0671881-A4 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES. FMC CORP (US) 1996-03-27 EP disclosed
EP-0671881-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1995-09-20 EP disclosed
WO-1994012032-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1994-06-09 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 (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-12528837-B2 Aryl substituted polymyxin derivatives PTMS, PNISR, BCAT2 PKM 123/4885HSD17B3 2774/4885SLC6A19 68/4885
US-20260103491-A1 ARYL SUBSTITUTED POLYMYXIN DERIVATIVES PTMS, FPR1, BCAT2 PKM 759/4885HSD17B3 3256/4885SLC6A19 245/4885
US-11773101-B2 GPR35 modulators GPR35, GPR55, GPR65 PKM 1795/4885HSD17B3 799/4885SLC6A19 2355/4885

“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.