SCHEMBL3013679

SCHEMBL3013679

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)n2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR6 P50406 2/20 0.36
F2RL3 Q96RI0 4/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
RORC P51449 1/20 0.34
LIPE Q05469 1/20 0.34
MAPK7 Q13164 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL3007253 0.93 KDM4E (0.37) MAPTLMNATDP1USP2RECQL
SCHEMBL3000012 0.91 CSNK1D (0.37) MAPTUSP2RECQLHSD17B10HCRTR1
SCHEMBL3008557 0.91 MAPT (0.46) MAPTLMNATDP1USP2RECQL
SCHEMBL3018197 0.90 MAPT (0.40) MAPTLMNATDP1USP2RECQL
SCHEMBL3018088 0.90 DRD2 (0.40) MAPTLMNATDP1USP2RECQL
SCHEMBL3008070 0.89 NR1I2 (0.38) MAPTLMNATDP1USP2RECQL
SCHEMBL3010966 0.89 MAPT (0.38) MAPTLMNATDP1USP2RECQL
SCHEMBL3020230 0.88 KDM4E (0.42) MAPTLMNATDP1USP2RECQL
SCHEMBL3007080 0.88 MAPT (0.37) MAPTLMNATDP1USP2RECQL
SCHEMBL3013530 0.87 RAB9A (0.36) MAPTUSP2RECQLHSD17B10F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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 (1 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA MAPT 18/4885LMNA 80/4885TDP1 86/4885

“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.