SCHEMBL2997436

SCHEMBL2997436

CN(C)S(=O)(=O)c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA5A P35218 1/20 0.42
LMNA P02545 1/20 0.42
METAP2 P50579 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41

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
SCHEMBL1902646 0.86 IRAK4 (0.45) ALDH1A1HTTMCL1KDM4EMAPT
SCHEMBL29385278 0.83 MCL1 (0.59) ALDH1A1HTTMCL1SMN1; SMN2TSHR
SCHEMBL5515234 0.83 MCL1 (0.59) ALDH1A1HTTMCL1SMN1; SMN2TSHR
SCHEMBL8854263 0.83 POLB (0.42) ALDH1A1HTTMCL1SMN1; SMN2POLB
SCHEMBL29941371 0.81 KMT2A (0.47) ALDH1A1HTTSMN1; SMN2KDM4ETSHR
SCHEMBL6627930 0.79 CA1 (0.65) ALDH1A1HTTMCL1KDM4EMAPT
SCHEMBL364343 0.79 BCAT2 (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL6455529 0.78 CA12 (0.45) SMN1; SMN2MAPTCA1CA2CA9
SCHEMBL29451283 0.77 ALDH1A1 (0.40) ALDH1A1HTTMCL1SMN1; SMN2KDM4E
SCHEMBL18584927 0.77 ALDH1A1 (0.44) ALDH1A1HTTMCL1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-3746124-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2020-12-09 EP disclosed
WO-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed
US-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection SIGA TECHNOLOGIES, INC. 2010-07-29 US disclosed
US-20090054469-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20050037923-A1 Herbicidal mixture based on 7-pyrazolybenzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-02-17 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-20100189685-A1 Antiviral Drugs for Treatment or Prevention of Dengue Infection EIF2AK2, HAVCR2, SNRPE ALDH1A1 2072/4885HTT 3895/4885MCL1 4444/4885
US-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 ALDH1A1 3737/4885HTT 1696/4885MCL1 2415/4885
US-20090054469-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF ALDH1A1 629/4885HTT 4717/4885MCL1 77/4885
US-20050037923-A1 Herbicidal mixture based on 7-pyrazolybenzoxazoles DDT, CYP2W1, CYP3A7 ALDH1A1 291/4885HTT 3249/4885MCL1 3566/4885

“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.