SCHEMBL120691

SCHEMBL120691

O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ CASP3 P42574 2/20 0.49
▸ MDM2 Q00987 4/20 0.49
▸ SLC17A5 Q9NRA2 1/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ TNF P01375 1/20 0.46
▸ TLR2 O60603 1/20 0.45

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
SCHEMBL29401272 1.00 MDM4 (0.52) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL14584328 0.90 FOLH1 (0.51) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL2030857 0.90 FOLH1 (0.51) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL29641557 0.90 FOLH1 (0.51) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL29398014 0.90 FOLH1 (0.51) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL24489613 0.90 FOLH1 (0.51) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL3962011 0.87 MDM4 (0.52) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL31260547 0.87 MDM4 (0.52) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL21192398 0.87 MDM4 (0.52) MDM4TP53CASP3MDM2SLC17A5
SCHEMBL31370328 0.87 MDM2 (0.51) MDM4TP53CASP3MDM2SLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 — — US claimed
US-20150297761-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-10-22 — — US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 — — US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 — — US disclosed
WO-2014075079-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-15 — — WO disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 — — US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 — — US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 — — US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 — — US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 — — US disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 — — EP disclosed
EP-1379874-A1 PHYCOERYTHRIN LABELED THYRONINE ANALOGUES AND ASSAYS USING THE LABELED ANALOGUES BIO-RAD LABORATORIES, INC. (US) 2004-01-14 — — EP disclosed
US-20030125257-A1 Assay for identifying beta secretase inhibitors HOFFMANN-LA ROCHE INC. 2003-07-03 — — US disclosed
WO-2002073202-A1 PHYCOERYTHRIN LABELED THYRONINE ANALOGUES AND ASSAYS USING THE LABELED ANALOGUES BIO-RAD LABORATORIES, INC. (US) 2002-09-19 — — WO disclosed
US-6423549-B1 COMPETITIVE BINDING; IMMUNOASSAY; FLUORESCENT; MEDICAL DIAGNOSIS BIO-RAD LABORATORIES, INC. 2002-07-23 — — US disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO disclosed
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 — — US disclosed
EP-0728469-A2 An endermic liniment SHISEIDO COMPANY LIMITED (JP) 1996-08-28 — — EP disclosed
EP-0438873-A1 Inhibitor of ribonucleotide reductase of herpes viruses MERCK & CO. INC. (US) 1991-07-31 — — 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 (3 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-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 MDM4 1166/4885TP53 1635/4885CASP3 2910/4885
US-20150297761-A1 PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING ARGLU1, CA1, SSTR3 MDM4 1751/4885TP53 4159/4885CASP3 3790/4885
US-20030125257-A1 Assay for identifying beta secretase inhibitors BACE1, BACE2, APP MDM4 2701/4885TP53 1435/4885CASP3 2610/4885

“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.

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