SCHEMBL18913835

SCHEMBL18913835

CN1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
P2RX7 Q99572 1/20 0.47
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM1A O60341 2/20 0.43
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PAX8 Q06710 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39

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
SCHEMBL24333364 1.00 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22213818 1.00 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18913873 0.80 P2RX7 (0.51) P2RX7ALDH1A1SMN1; SMN2KDM1AKMT2A
SCHEMBL22213798 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A
SCHEMBL18914183 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A
SCHEMBL24333211 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A
SCHEMBL18913827 0.80 P2RX7 (0.51) P2RX7ALDH1A1SMN1; SMN2KDM1AKMT2A
SCHEMBL24333461 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A
SCHEMBL18913907 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM1AKMT2ARAB9A
SCHEMBL24005505 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM1AKMT2ANPSR1

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
EP-3380469-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2022-03-16 EP disclosed
US-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof CONVERGENE, LLC (US) 2021-06-08 US disclosed
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC 2020-07-16 US disclosed
WO-2017091661-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF STROVEL JEFFREY WILLIAM (US) 2017-06-01 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 (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-11028079-B2 Small molecule BET bromodomain inhibitors and uses thereof BRDT, BRD4, BRD3 CHRNB2 1994/4885CHRNB4 2313/4885CHRNA3 2085/4885
US-20200223836-A1 SMALL MOLECULE BET BROMODOMAIN INHIBITORS AND USES THEREOF BRDT, BRD4, BRD3 CHRNB2 1994/4885CHRNB4 2313/4885CHRNA3 2085/4885

“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.