SCHEMBL7201481

SCHEMBL7201481

[CH2]OC(Cl)(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.39
KCNN4 O15554 5/20 0.38
ALOX15 P16050 1/20 0.36
LTA4H P09960 1/20 0.35
PTPN1 P18031 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
KIF11 P52732 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL547587 0.78 TSHR (0.55) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL995346 0.78 TSHR (0.55) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL10707751 0.74 TSHR (0.50) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL1224334 0.74 TSHR (0.50) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL3988998 0.73 TSHR (0.44) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL328834 0.72 KIF11 (0.44) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL9798410 0.72 TSHR (0.48) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL6299799 0.70 TSHR (0.52) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL10954237 0.69 TSHR (0.58) TSHRALDH1A1CYP1A2MAPK1KCNN4
SCHEMBL5720508 0.69 TSHR (0.58) TSHRALDH1A1CYP1A2MAPK1KCNN4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2003-06-26 US disclosed
EP-0920444-B1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2002-12-18 EP disclosed
US-6489353-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; CENTRAL NERVOUS SYSTEM DISORDERS IDUN PHARMACEUTICALS, INC. 2002-12-03 US disclosed
US-20020025935-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-1159291-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-12-05 EP disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 WO disclosed
EP-0920444-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 1999-06-09 EP disclosed
US-5877197-A C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 1999-03-02 US disclosed
WO-1998011129-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-03-19 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 (2 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-20020025935-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, CASP1, IAPP TSHR 4651/4885ALDH1A1 4493/4885CYP1A2 4765/4885
US-20030119748-A1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases CASP3, CASP1, IAPP TSHR 4644/4885ALDH1A1 4494/4885CYP1A2 4773/4885

“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.