SCHEMBL15599447

SCHEMBL15599447

CN(C)CCS(=O)(=O)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
AOC3 Q16853 1/20 0.42
KMT2A Q03164 3/20 0.40
HTR6 P50406 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16980137 0.90 TAAR1 (0.47) TAAR1AOC3KMT2AHTR6USP2
SCHEMBL15568063 0.84 KMT2A (0.57) KMT2ALMNAPOLB
SCHEMBL26810022 0.82 RECQL (0.42) KMT2AHTR6POLBTDP1
SCHEMBL15599508 0.82 KMT2A (0.40) TAAR1KMT2AHTR6POLB
SCHEMBL16971182 0.82 TAAR1 (0.53) TAAR1KMT2AKDM4EL3MBTL1
SCHEMBL775451 0.81 LMNA (0.44) TAAR1KMT2AUSP2LMNANPSR1
SCHEMBL15599406 0.80 TAAR1 (0.58) TAAR1KMT2AHTR6L3MBTL1
SCHEMBL14426959 0.79 KMT2A (0.43) KMT2AUSP2LMNANPSR1TP53
SCHEMBL422010 0.78 USP2 (0.51) TAAR1KMT2AUSP2LMNANPSR1
SCHEMBL9261232 0.77 TAAR1 (0.52) TAAR1AOC3KMT2APOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882727-B1 IMMUNOMODULATORY COMPOUNDS UNIV STRATHCLYDE (GB) 2021-01-20 EP disclosed
US-9598386-B2 Immunomodulatory compounds UNIVERSITY OF STRATHCLYDE (GB) 2017-03-21 US disclosed
US-9598386-B2 Immunomodulatory compounds UNIVERSITY OF STRATHCLYDE (GB) 2017-03-21 US disclosed
US-9598386-B2 Immunomodulatory compounds UNIVERSITY OF STRATHCLYDE (GB) 2017-03-21 US disclosed
US-20150218116-A1 Immunomodulatory Compounds UNIVERSITY OF STRATHCLYDE (GB) 2015-08-06 US disclosed
US-20150218116-A1 Immunomodulatory Compounds UNIVERSITY OF STRATHCLYDE (GB) 2015-08-06 US disclosed
US-20150218116-A1 Immunomodulatory Compounds UNIVERSITY OF STRATHCLYDE (GB) 2015-08-06 US disclosed
WO-2014023934-A1 IMMUNOMODULATORY COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2014-02-13 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 (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-20150218116-A1 Immunomodulatory Compounds TSLP, IL2, ICOS TAAR1 3321/4885AOC3 3091/4885KMT2A 3352/4885

“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.