SCHEMBL19728992

SCHEMBL19728992

CC(C)(C)c1cncc(NS(=O)(=O)c2cccc(F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
SLC22A11 Q9NSA0 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
PRF1 P14222 1/20 0.48
PGR P06401 1/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL19736788 0.85 MEN1 (0.56) SMN1; SMN2ALDH1A1CYP3A4CYP2C9SLC22A6
SCHEMBL17858628 0.83 SLC22A12 (0.54) PIK3CBSMN1; SMN2ALDH1A1TSHRSLC22A12
SCHEMBL16017543 0.81 AKR1C3 (0.53) ALDH1A1TSHRPOLBKMT2A
SCHEMBL19736687 0.81 PIK3CB (0.61) PIK3CBCYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL22914714 0.80 PGR (0.50) PIK3CBSMN1; SMN2ALDH1A1TSHRPRF1
SCHEMBL19728991 0.79 PIK3CB (0.57) PIK3CBSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL21083146 0.78 PRF1 (0.47) PIK3CBSMN1; SMN2ALDH1A1TSHRPRF1
SCHEMBL23565665 0.77 KMT2A (0.71) SMN1; SMN2ALDH1A1TSHRPOLBHTT
SCHEMBL19728967 0.74 SLC22A12 (0.49) PIK3CBSMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL14005314 0.73 GBA1 (0.47) PIK3CBSMN1; SMN2ALDH1A1POLBPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-01-28 US disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-06 US disclosed
US-10206924-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-19 US disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 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 (6 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-10206924-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 PIK3CB 16/4885SMN1; SMN2 4865/4885ALDH1A1 4653/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 PIK3CB 16/4885SMN1; SMN2 4865/4885ALDH1A1 4653/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 PIK3CB 16/4885SMN1; SMN2 4865/4885ALDH1A1 4653/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 PIK3CB 16/4885SMN1; SMN2 4865/4885ALDH1A1 4653/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 PIK3CB 16/4885SMN1; SMN2 4865/4885ALDH1A1 4653/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 PIK3CB 1530/4885SMN1; SMN2 2483/4885ALDH1A1 608/4885

“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.