SCHEMBL4969017

SCHEMBL4969017

COC(=O)CN1C(=O)CSc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.76
LMNA P02545 3/20 0.67
ALDH1A1 P00352 2/20 0.65
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALOX15 P16050 1/20 0.54
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.51

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
SCHEMBL7562796 0.86 NPSR1 (1.00) NPSR1LMNAALDH1A1POLBALOX15
SCHEMBL7280026 0.86 NPSR1 (0.62) NPSR1LMNAALDH1A1POLBALOX15
SCHEMBL19586294 0.85 NPSR1 (0.71) NPSR1LMNAALDH1A1POLBTDP1
SCHEMBL4970719 0.85 NPSR1 (0.56) NPSR1LMNAALDH1A1POLBTDP1
SCHEMBL12301766 0.84 NPSR1 (0.69) NPSR1LMNAALDH1A1ALOX15TSHR
SCHEMBL4971618 0.82 NPSR1 (0.67) NPSR1LMNAALDH1A1ALOX15TSHR
SCHEMBL30808619 0.82 NPSR1 (0.67) NPSR1LMNAALDH1A1ALOX15TSHR
SCHEMBL14365495 0.82 NPSR1 (0.62) NPSR1LMNAALDH1A1ALOX15MAPT
SCHEMBL30808609 0.81 NPSR1 (0.61) NPSR1LMNAALDH1A1ALOX15MAPT
SCHEMBL10968630 0.80 NPSR1 (0.63) NPSR1LMNAALDH1A1POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP claimed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US claimed
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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 (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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 NPSR1 2646/4885LMNA 4136/4885ALDH1A1 142/4885

“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.