SCHEMBL80182

SCHEMBL80182

[O]C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
FEN1 P39748 1/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 3/20 0.44
AKR1B1 P15121 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
JAK2 O60674 1/20 0.44
CYP3A4 P08684 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
GAA P10253 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
DPP4 P27487 1/20 0.41
LMNA P02545 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL2092585 0.81 ALDH1A1 (0.61) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL9726458 0.80 ALDH1A1 (0.67) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL19998299 0.78 ALDH1A1 (0.64) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL80183 0.78 ALDH1A1 (0.64) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL103586 0.78 ALDH1A1 (1.00) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL976845 0.76 ALDH1A1 (0.61) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL783928 0.76 ALDH1A1 (0.61) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL11652644 0.76 ALDH1A1 (0.61) ALDH1A1FEN1HPGDNPC1GLA
SCHEMBL320037 0.76 ALDH1A1 (0.61) ALDH1A1FEN1HPGDNPC1GLA
Hydrochloric Acid SCHEMBL8042412 0.76 ALDH1A1 (0.61) ALDH1A1FEN1HPGDNPC1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2021-11-09 US disclosed
US-20180250298-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA BV (NL) 2018-09-06 US disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
EP-3179991-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR Acerta Pharma B.V. (NL) 2017-06-21 EP disclosed
WO-2016024230-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
EP-2019671-B1 INTERMEDIATES FOR THE PREPARATION OF BIVALENT SMAC MIMETICS UNIV MICHIGAN (US) 2014-09-24 EP disclosed
EP-2139490-B1 DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF UNIV MICHIGAN (US) 2014-07-02 EP disclosed
US-8664212-B2 Diazo bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-04 US disclosed
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed
US-5552400-A Fused-bicyclic lactams as interleukin-1β converting enzyme inhibitors STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1995033751-A1 BICYCLING LACTAM INHIBITOR OF INTERLEUKIN-1-BETA CONVERTING ENZYME SANOFI WINTHROP, INC. (US) 1995-12-14 WO disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0379174-A2 2,3-Dihydro-3,3-dimethyl-5-trifluoromethanesulfonyloxybenzofurans, process for producing them and herbicides containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-07-25 EP 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-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 ALDH1A1 4519/4885FEN1 3389/4885HPGD 4346/4885
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 ALDH1A1 4519/4885FEN1 3389/4885HPGD 4346/4885
US-20180250298-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 ALDH1A1 4519/4885FEN1 3389/4885HPGD 4346/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 ALDH1A1 4519/4885FEN1 3389/4885HPGD 4346/4885

“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.