SCHEMBL17440232

SCHEMBL17440232

CC(C)(C)N(C(=O)O)c1ccsc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AXL P30530 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1875012 0.79 LMNA (0.37) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL17440276 0.77 LMNA (0.35) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL1879166 0.73 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL1703670 0.71 PKM (0.45) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL4410432 0.71 LMNA (0.31) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL1648161 0.70 PTGDR2 (0.36) ALDH1A1KDM4EGLAHPGDPOLB
SCHEMBL16429292 0.70 TSHR (0.33) LMNAALDH1A1MAPK1TSHRMEN1
SCHEMBL1704450 0.69 PKM (0.49) LMNAALDH1A1KDM4EGAAMEN1
SCHEMBL28935727 0.69 KDM4E (0.38) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL29048373 0.68 DAO (0.39) LMNAALDH1A1GAAPOLBTSHR

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-9908895-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-9255096-B1 Substituted 1,2,3,4-tetrahydrobenzo[C][2,7] naphthyridines and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2016-02-09 US disclosed
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION 2016-01-28 US disclosed
US-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2016-01-21 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 (2 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-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 LMNA 4881/4885ALDH1A1 4431/4885KDM4E 819/4885
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 LMNA 4881/4885ALDH1A1 4431/4885KDM4E 819/4885

“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.