SCHEMBL13764330

SCHEMBL13764330

CC(C)(C)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
CA2 P00918 2/20 0.51
PTGS2 P35354 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PTGS1 P23219 2/20 0.50
BCAT1 P54687 1/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
HPGD P15428 2/20 0.49
HSD11B1 P28845 1/20 0.49
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LARS1 Q9P2J5 1/20 0.47
MITF O75030 1/20 0.47

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
SCHEMBL17943672 0.85 BCL2L1 (0.58) PPARAMMP1MMP2MMP9MMP13
SCHEMBL4584839 0.85 PPARA (0.55) PPARACA2PTGS2KDM4EPTGS1
SCHEMBL3531889 0.85 PPARA (0.55) PPARACA2PTGS2KDM4EPTGS1
SCHEMBL19627396 0.84 F2 (0.49) PPARACA2CA1CYP2C19ALDH1A1
SCHEMBL17943464 0.83 CA1 (0.55) CA2PTGS2KDM4EPTGS1CA1
SCHEMBL5543693 0.82 PPARA (0.52) PPARACA2PTGS2KDM4EPTGS1
SCHEMBL19627391 0.81 ALDH1A1 (0.59) CA2CA1CYP2C19ALDH1A1KMT2A
SCHEMBL19627392 0.81 CA1 (0.57) CA2PTGS2PTGS1CA1MMP1
SCHEMBL19627398 0.81 FLT1 (0.59) PPARACA2PTGS2PTGS1CA1
SCHEMBL14679321 0.81 HTT (0.66) BCAT1HPGDALDH1A1SMN1; SMN2KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 US disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
US-9949965-B2 Tricyclic indole Mcl-1 inhibitors and uses thereof VANDERBILT UNIVERSITY (US) 2018-04-24 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 US disclosed
US-7563785-B2 Quetiapine analogs and methods of use thereof HYPNION, INC. (US) 2009-07-21 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 (13 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-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 PPARA 3701/4885CA2 3872/4885PTGS2 682/4885
US-10167254-B2 IDO inhibitors IDO1, IDO2, INMT PPARA 2246/4885CA2 3076/4885PTGS2 323/4885
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 PPARA 3823/4885CA2 4564/4885PTGS2 1652/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT PPARA 2246/4885CA2 3076/4885PTGS2 323/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 PPARA 3823/4885CA2 4564/4885PTGS2 1652/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT PPARA 3246/4885CA2 1487/4885PTGS2 60/4885
US-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, NR1H4 PPARA 97/4885CA2 1683/4885PTGS2 1013/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 PPARA 3701/4885CA2 3872/4885PTGS2 682/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT PPARA 3246/4885CA2 1487/4885PTGS2 60/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT PPARA 2246/4885CA2 3076/4885PTGS2 323/4885
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 PPARA 3823/4885CA2 4564/4885PTGS2 1652/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 PPARA 3823/4885CA2 4564/4885PTGS2 1652/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT PPARA 3246/4885CA2 1487/4885PTGS2 60/4885

“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.