SCHEMBL22285693

SCHEMBL22285693

COc1cccc(C(F)(F)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PARP1 P09874 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HDAC6 Q9UBN7 1/20 0.44
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44

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
SCHEMBL31256902 1.00 CES2 (0.49) CES2CES1LMNAMEN1KMT2A
SCHEMBL28652564 0.85 CES2 (0.47) CES2CES1LMNAMEN1KMT2A
SCHEMBL30628214 0.83 MRGPRX4 (0.45) LMNAKDM4ESMN1; SMN2
SCHEMBL17420544 0.83 MRGPRX4 (0.45) LMNAKDM4ESMN1; SMN2
SCHEMBL18921671 0.82 PDK1 (0.49) CES2CES1LMNAMEN1KMT2A
SCHEMBL30451083 0.82 PDK1 (0.49) CES2CES1LMNAMEN1KMT2A
SCHEMBL18921672 0.82 PDK1 (0.49) CES2CES1LMNAMEN1KMT2A
SCHEMBL15994958 0.82 AKR1C3 (0.45) CES2KMT2AKDM4EAKR1C3AKR1C2
SCHEMBL13199200 0.82 RXRA (0.44) CES2AKR1C3AKR1C2HDAC6
1,3-Dimethoxybenzene SCHEMBL11452224 0.82 LMNA (0.58) CES2CES1LMNAMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 WO disclosed
US-12234225-B2 IL-17 ligands and uses thereof DICE ALPHA, INC. (US) 2025-02-25 US disclosed
US-20230053746-A1 IL-17 LIGANDS AND USES THEREOF DICE MOLECULES SV, INC. 2023-02-23 US disclosed
US-11447468-B2 IL-17 ligands and uses thereof DICE ALPHA, INC. (US) 2022-09-20 US disclosed
EP-3921038-A1 IL-17A MODULATORS AND USES THEREOF Dice Alpha, Inc. (US) 2021-12-15 EP disclosed
WO-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed
US-20200247785-A1 IL-17 Ligands And Uses Thereof DICE MOLECULES SV, INC. 2020-08-06 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 (4 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-20230053746-A1 IL-17 LIGANDS AND USES THEREOF IL17A, IL2, IL15 CES2 4740/4885CES1 3502/4885LMNA 3817/4885
US-11447468-B2 IL-17 ligands and uses thereof IL17A, IL2, IL15 CES2 4740/4885CES1 3502/4885LMNA 3817/4885
US-20200247785-A1 IL-17 Ligands And Uses Thereof IL17A, IL2, IL15 CES2 4740/4885CES1 3502/4885LMNA 3817/4885
US-12234225-B2 IL-17 ligands and uses thereof IL17A, IL2, IL15 CES2 4740/4885CES1 3502/4885LMNA 3817/4885

“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.