SCHEMBL18171383

SCHEMBL18171383

N#CC(=NOCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
CA2 P00918 8/20 0.39
CA9 Q16790 5/20 0.39
CA1 P00915 6/20 0.39
CA12 O43570 2/20 0.38
PKM P14618 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL16791898 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1L3MBTL1RAB9AALDH1A1
SCHEMBL18171382 0.84 NPC1 (0.46) SMN1; SMN2NPC1L3MBTL1RAB9AALDH1A1
SCHEMBL16791914 0.84 NPC1 (0.46) SMN1; SMN2NPC1L3MBTL1RAB9AALDH1A1
SCHEMBL29253308 0.82 ALDH1A1 (0.41) SMN1; SMN2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL17065127 0.77 KMT2A (0.41) SMN1; SMN2NPC1L3MBTL1RAB9AALDH1A1
SCHEMBL29253288 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL31281812 0.75 ALDH1A1 (0.39) SMN1; SMN2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11210429 0.74 PKM (0.44) SMN1; SMN2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL10934047 0.74 PKM (0.44) SMN1; SMN2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL29253304 0.73 CA2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1CA2

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-3114107-B1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS LLC (US) 2020-07-22 EP claimed
US-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2017-03-23 US claimed
US-20160311766-A1 BICYCLIC ALKYL COMPOUNDS AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2016-10-27 US claimed
EP-3114107-B1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS LLC (US) 2020-07-22 EP disclosed
US-10654812-B2 Propellane derivates and synthesis RECURIUM IP HOLDINGS LLC (US) 2020-05-19 US disclosed
US-10189780-B2 Bicyclic alkyl compounds and synthesis Zeno Royalties & Milestones, LLC (US) 2019-01-29 US disclosed
US-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2017-03-23 US disclosed
US-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2017-03-23 US disclosed
US-20160311766-A1 BICYCLIC ALKYL COMPOUNDS AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2016-10-27 US disclosed
US-20160311766-A1 BICYCLIC ALKYL COMPOUNDS AND SYNTHESIS RECURIUM IP HOLDINGS, LLC 2016-10-27 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-20170081295-A1 PROPELLANE DERIVATES AND SYNTHESIS PDHA1, PDHA2, DHPS SMN1; SMN2 2460/4885NPC1 1984/4885L3MBTL1 4755/4885
US-20160311766-A1 BICYCLIC ALKYL COMPOUNDS AND SYNTHESIS AP1M1, CYP1B1, CYP2C9 SMN1; SMN2 2977/4885NPC1 311/4885L3MBTL1 4515/4885
US-10654812-B2 Propellane derivates and synthesis PDHA1, PDHA2, DHPS SMN1; SMN2 2460/4885NPC1 1984/4885L3MBTL1 4755/4885
US-10189780-B2 Bicyclic alkyl compounds and synthesis AP1M1, CYP1B1, CYP2C9 SMN1; SMN2 2977/4885NPC1 311/4885L3MBTL1 4515/4885

“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.