SCHEMBL8128591

SCHEMBL8128591

O=Cc1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.41
ERN1 O75460 1/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NSD2 O96028 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL12760836 0.86 TSHR (0.48) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL31487923 0.84 ERN1 (0.51) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL25296415 0.82 TSHR (0.41) TSHRALDH1A1SMN1; SMN2TP53CASP1
SCHEMBL7170061 0.80 ABL1 (0.44) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL23529320 0.79 ALDH1A1 (0.41) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL7077665 0.78 LMNA (0.42) TSHRALDH1A1SMN1; SMN2CASP1LMNA
SCHEMBL8489466 0.78 LMNA (0.39) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL432644 0.78 TSHR (0.64) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL29886586 0.78 TSHR (0.64) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL29956758 0.78 ALDH1A1 (0.61) TSHRALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-6100421-A METHYL 3-FORMYL-4-METHANESULFONYL-2-METHYLBENZOATE, USEFUL AS A STARTING MATERIAL FOR HERBICIDE MANUFACTURE NIPPON SODA CO., LTD. (JP) 2000-08-08 US disclosed
US-5948917-A INTERMEDIATE FOR THE PRODUCTION OF A HERBICIDALLY ACTIVE PYRAZOLE COMPOUND NIPPON SODA CO., LTD. (JP) 1999-09-07 US disclosed
EP-0894792-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-02-03 EP disclosed
EP-0891972-A1 3-(ISOXAZOL-5-YL)-SUBSTITUTED BENZOIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1999-01-20 EP disclosed
US-5807806-A Benzoylpyrazole derivatives having specific substituents and herbicide NIPPON SODA CO., LTD. (JP) 1998-09-15 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 (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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885ALDH1A1 940/4885TDP1 4378/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885ALDH1A1 940/4885TDP1 4378/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885ALDH1A1 940/4885TDP1 4378/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885ALDH1A1 940/4885TDP1 4378/4885

“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.