SCHEMBL17558407

SCHEMBL17558407

CC(C)(C)c1c(C(=O)O)ccc(F)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDK2 P24941 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL23908495 0.89 ALDH1A1 (0.38) EPHX2NR1H4ALDH1A1TSHRTDP1
SCHEMBL23039308 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL6867541 0.81 ALDH1A1 (0.41) NR1H4ALDH1A1TSHRTDP1CYP3A4
SCHEMBL6867546 0.81 ALDH1A1 (0.41) NR1H4ALDH1A1TSHRTDP1CYP3A4
SCHEMBL6515361 0.79 TP53 (0.37) EPHX2NR1H4ALDH1A1TSHRTDP1
SCHEMBL543918 0.79 TSHR (0.51) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL4960492 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL18306112 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL9671806 0.78 TSHR (0.44) ALDH1A1TSHRTDP1CYP3A4ALOX15
SCHEMBL7077212 0.78 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
US-12024529-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-07-02 US disclosed
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-08-31 US disclosed
US-11685747-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2023-06-27 US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
EP-3762393-B1 ALPHA-HYDROXY PHENYLACETIC ACID PHARMACOPHORE OR BIOISOSTERE MCL-1 PROTEIN ANTAGONISTS AMGEN INC (US) 2023-01-11 EP disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 EP disclosed
US-11306107-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2022-04-19 US disclosed
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists AMGEN INC. (US) 2022-03-15 US disclosed
US-20190016736-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-01-17 US disclosed
EP-3424931-A2 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN Amgen, Inc (US) 2019-01-09 EP disclosed
EP-3186259-B1 TETRAHYDRONAPHTHALENE DERIVATIVES THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2018-12-19 EP disclosed
US-10100063-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2018-10-16 US disclosed
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-11 US disclosed
WO-2018183418-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2018-10-04 WO disclosed
WO-2017147410-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-08-31 WO disclosed
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-03-30 US disclosed
US-9562061-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2017-02-07 US disclosed
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2016-03-10 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 (12 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-11306107-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 EPHX2 4618/4885NR1H4 4577/4885ALDH1A1 1891/4885
US-20180289720-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 EPHX2 4520/4885NR1H4 4545/4885ALDH1A1 1575/4885
US-20230271981-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 EPHX2 4512/4885NR1H4 4611/4885ALDH1A1 1431/4885
US-11685747-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 EPHX2 4512/4885NR1H4 4611/4885ALDH1A1 1431/4885
US-12024529-B2 Compounds that inhibit MCL-1 protein MCL1, BCL2L1, BCL9 EPHX2 4512/4885NR1H4 4611/4885ALDH1A1 1431/4885
US-20160068545-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 EPHX2 4618/4885NR1H4 4577/4885ALDH1A1 1891/4885
US-10100063-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 EPHX2 4618/4885NR1H4 4577/4885ALDH1A1 1891/4885
US-20190016736-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL2L1, BCL9 EPHX2 4512/4885NR1H4 4611/4885ALDH1A1 1431/4885
US-20170088560-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 EPHX2 4618/4885NR1H4 4577/4885ALDH1A1 1891/4885
US-11274105-B2 Alpha-hydroxy phenylacetic acid pharmacophore or bioisostere Mcl-1 protein antagonists MCL1, BCL2A1, BCLAF1 EPHX2 4106/4885NR1H4 2053/4885ALDH1A1 59/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 EPHX2 4618/4885NR1H4 4577/4885ALDH1A1 1891/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 EPHX2 4618/4885NR1H4 4577/4885ALDH1A1 1891/4885

“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.