SCHEMBL25847426

SCHEMBL25847426

CCc1ccnc(NS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
PKM P14618 1/20 0.49
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PTGS1 P23219 2/20 0.44
RIOK2 Q9BVS4 1/20 0.44
IGF1R P08069 1/20 0.42
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
KIT P10721 1/20 0.39
BRAF P15056 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4307544 0.85 KDM4E (0.43) KDM4EPKMHPGDALDH1A1IGF1R
SCHEMBL3126650 0.85 LOXL2 (0.45) KDM4EHPGDALDH1A1IGF1RSMN1; SMN2
SCHEMBL27182779 0.83 PKM (0.50) KDM4EPKMNOS3NOS1NOS2
SCHEMBL30834855 0.83 KDM4E (0.52) KDM4EPKMNOS3NOS1NOS2
SCHEMBL18924315 0.82 IGF1R (0.42) KDM4EPKMHPGDALDH1A1IGF1R
SCHEMBL12460797 0.77 KDM4E (0.59) KDM4EPKMNOS2HPGDALDH1A1
SCHEMBL31325755 0.76 NOS2 (0.53) KDM4EPKMNOS3NOS1NOS2
SCHEMBL2056325 0.76 NOS2 (0.53) KDM4EPKMNOS3NOS1NOS2
SCHEMBL20197187 0.75 ALDH1A1 (0.40) KDM4EHPGDALDH1A1KMT2AKDM4D
SCHEMBL21617733 0.75 BRD4 (0.49) KDM4EHPGDALDH1A1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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 (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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 2644/4885PKM 1981/4885NOS3 4096/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1816/4885PKM 1352/4885NOS3 3935/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4E 4219/4885PKM 792/4885NOS3 817/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KDM4E 2644/4885PKM 1981/4885NOS3 4096/4885

“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.