SCHEMBL6887657

SCHEMBL6887657

CCCCc1ccc(C=CC=C2SC(=S)N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.56
▸ AKR1B1 P15121 6/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ PTPN1 P18031 3/20 0.55
▸ PTPN2 P17706 2/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NCOA3 Q9Y6Q9 2/20 0.53
▸ MITF O75030 1/20 0.53
▸ POLB P06746 3/20 0.53
▸ USP2 O75604 1/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ ALPL P05186 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ ATM Q13315 1/20 0.53

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
SCHEMBL6887875 0.97 AKR1B1 (0.56) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6881111 0.86 AKR1B1 (0.68) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6883200 0.85 AKR1B1 (0.63) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6881113 0.82 MAPT (0.77) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6888297 0.82 MAPT (0.59) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6886335 0.82 MAPT (0.68) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6886378 0.80 MAPT (0.56) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6886374 0.80 MAPT (0.56) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6881118 0.80 MAPT (0.58) MAPTAKR1B1MEN1KMT2ANPC1
SCHEMBL6881114 0.80 MAPT (0.58) MAPTAKR1B1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 — — US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 — — US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 — — EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — 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 (1 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-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 MAPT 3886/4885AKR1B1 417/4885MEN1 838/4885

“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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