SCHEMBL17047006

SCHEMBL17047006

CCCC[Sn](CCCC)(CCCC)c1c(F)cccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
BCAT1 P54687 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
AR P10275 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL31200955 0.89 TSHR (0.40) TSHRL3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL5702143 0.83 SMN1; SMN2 (0.36) L3MBTL1SMN1; SMN2DRD2DRD3MEN1
SCHEMBL2650519 0.73 TSHR (0.42) TSHRL3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL5702071 0.72 SMN1; SMN2 (0.39) L3MBTL1SMN1; SMN2DRD2DRD3MEN1
SCHEMBL5701993 0.72 SMN1; SMN2 (0.36) L3MBTL1SMN1; SMN2DRD2DRD3MEN1
SCHEMBL29844444 0.70 TSHR (0.39) TSHRL3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL5280126 0.69 HPGD (0.46) TSHRL3MBTL1SMN1; SMN2NPC1ALDH1A1
SCHEMBL2656551 0.69 AR (0.40) ALDH1A1HPGDAR
SCHEMBL2657027 0.69 AR (0.34) TSHRALDH1A1HPGDARMEN1
SCHEMBL21910132 0.68 MPO (0.38) TSHRBCAT1L3MBTL1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 EP disclosed
EP-3110820-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-04-06 EP disclosed
US-10196390-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-02-05 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
EP-3110820-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2017-01-04 EP disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
WO-2015131080-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2015-09-03 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 (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-10196390-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885BCAT1 985/4885L3MBTL1 914/4885
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885BCAT1 985/4885L3MBTL1 914/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885BCAT1 985/4885L3MBTL1 914/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885BCAT1 985/4885L3MBTL1 914/4885

“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.