SCHEMBL4756434

SCHEMBL4756434

CCCCSc1cnc(NC(=O)c2ccccc2OC(C)=O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 1/20 0.59
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
ABCB11 O95342 1/20 0.59
TP53 P04637 1/20 0.59
ADRB2 P07550 1/20 0.59
CHRM2 P08172 1/20 0.59
ADRB1 P08588 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
MAPT P10636 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD2 P14416 1/20 0.59
PKM P14618 1/20 0.59

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
SCHEMBL4756451 0.85 CCNE1 (0.52) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL704141 0.85 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL4756409 0.80 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL2700118 0.79 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL13075975 0.79 NPC1 (0.69) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL25491131 0.78 ALDH1A1 (0.68) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL19428399 0.78 NPC1 (0.68) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL13524023 0.78 NPC1 (0.68) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL743401 0.77 ALDH1A1 (0.64) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL2699155 0.76 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11850237-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2023-12-26 US disclosed
US-20180078533-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA ROMARK LABORATORIES L.C. (US) 2018-03-22 US disclosed
US-9820975-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2017-11-21 US disclosed
US-20160228415-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA ROMARK LABORATORIES L.C. (US) 2016-08-11 US disclosed
US-9345690-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2016-05-24 US disclosed
US-20150250768-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA ROMARK LABORATORIES L.C. (US) 2015-09-10 US disclosed
US-9023877-B2 Compounds and methods for treating influenza ROMARK LABORATORIES L.C. (US) 2015-05-05 US disclosed
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 US disclosed
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 US disclosed
US-20100330173-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA ROMARK LABORATORIES L.C. 2010-12-30 US disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 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 (7 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-20150250768-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA HIF1AN, HAVCR2, NEU1 ALDH1A1 77/4885LMNA 1116/4885MAPK1 1399/4885
US-20180078533-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA HIF1AN, HAVCR2, NEU1 ALDH1A1 77/4885LMNA 1116/4885MAPK1 1399/4885
US-20100330173-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA HIF1AN, HAVCR2, NEU1 ALDH1A1 77/4885LMNA 1116/4885MAPK1 1399/4885
US-11850237-B2 Compounds and methods for treating influenza HIF1AN, HAVCR2, NEU1 ALDH1A1 77/4885LMNA 1116/4885MAPK1 1399/4885
US-20160228415-A1 COMPOUNDS AND METHODS FOR TREATING INFLUENZA HIF1AN, HAVCR2, NEU1 ALDH1A1 77/4885LMNA 1116/4885MAPK1 1399/4885
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC ALDH1A1 1605/4885LMNA 2943/4885MAPK1 3595/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC ALDH1A1 1605/4885LMNA 2943/4885MAPK1 3595/4885

“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.