SCHEMBL79948

SCHEMBL79948

O=Cc1cc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
PKM P14618 2/20 0.43
NSD2 O96028 1/20 0.43
APEX1 P27695 1/20 0.43
CASP3 P42574 1/20 0.43
RECQL P46063 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 3/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL23024683 0.86 ERN1 (0.41) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL16077668 0.85 ALDH1A1 (0.45) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL19387658 0.84 CYP3A4 (0.43) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL10111663 0.84 ERN1 (0.39) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL10111667 0.81 ERN1 (0.38) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL7706551 0.81 ERN1 (0.39) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL7614681 0.79 ERN1 (0.37) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL14526673 0.79 ERN1 (0.37) ALDH1A1TSHRPOLBTDP1PKM
SCHEMBL29950971 0.79 VCAM1 (0.46) ALDH1A1TSHRERN1HTTKDM4E
SCHEMBL1154451 0.78 TSHR (0.59) ALDH1A1TSHRPOLBTDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132112-A1 COMPOUNDS CTXT PTY LTD (AU) 2026-05-14 US disclosed
EP-4077318-B1 BENZIMIDAZOLE DIMERS AS MODULATORS OF STING CTXT PTY LTD (AU) 2025-10-15 EP disclosed
US-12415785-B2 Compound modulators of sting CTXT PTY LTD (AU) 2025-09-16 US disclosed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN disclosed
US-20230062932-A1 COMPOUNDS CTXT PTY LTD. (AU) 2023-03-02 US disclosed
US-20230062932-A1 COMPOUNDS CTXT PTY LTD. (AU) 2023-03-02 US disclosed
WO-2022266711-A1 SUBSTITUTED AMIDOBENZIMIDAZOLE DIMERS AS STING MODULATORS Aculeus Therapeutics Pty Ltd (AU) 2022-12-29 WO disclosed
WO-2022266711-A1 SUBSTITUTED AMIDOBENZIMIDAZOLE DIMERS AS STING MODULATORS Aculeus Therapeutics Pty Ltd (AU) 2022-12-29 WO disclosed
EP-4077318-A1 COMPOUNDS CTXT PTY LTD (AU) 2022-10-26 EP disclosed
CN-114981265-A Compound (I) CTXT私人有限公司 2022-08-30 CN disclosed
US-20100137359-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-7612091-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
EP-1581501-A1 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2005-10-05 EP disclosed
EP-1539701-A1 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-06-15 EP disclosed
US-20040192612-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 US disclosed
WO-2004058718-A1 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 WO 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 (7 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-20100137359-A1 CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, CASP5 ALDH1A1 2935/4885TSHR 2661/4885POLB 3598/4885
US-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 ALDH1A1 862/4885TSHR 4796/4885POLB 2920/4885
US-12415785-B2 Compound modulators of sting STING1, IRF3, MAVS ALDH1A1 4610/4885TSHR 4301/4885POLB 1735/4885
US-20040192612-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP5 ALDH1A1 2450/4885TSHR 3868/4885POLB 2971/4885
US-20260132112-A1 COMPOUNDS STING1, IRF3, CGAS ALDH1A1 4143/4885TSHR 1389/4885POLB 1166/4885
US-20230062932-A1 COMPOUNDS STING1, IRF3, MAVS ALDH1A1 4079/4885TSHR 4454/4885POLB 1666/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 ALDH1A1 1366/4885TSHR 4813/4885POLB 2993/4885

“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.