SCHEMBL3091908

SCHEMBL3091908

CCC(Cc1cnn(Cc2ccccc2)c1)(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
CREBBP Q92793 2/20 0.44
SCD O00767 4/20 0.43
SCD5 Q86SK9 4/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KLKB1 P03952 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ERCC5 P28715 1/20 0.41
ACACB O00763 2/20 0.41
HDAC1 Q13547 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL15310228 0.90 HSD17B10 (0.49) L3MBTL1POLBTDP1KLKB1ALDH1A1
SCHEMBL3092873 0.89 HPGD (0.49) SCD5POLBKLKB1ALDH1A1LMNA
SCHEMBL3089049 0.88 LMNA (0.50) CREBBPPOLBKLKB1ALDH1A1HSD17B10
SCHEMBL3097121 0.85 ALDH1A1 (0.50) L3MBTL1POLBTDP1ALDH1A1HSD17B10
SCHEMBL3090463 0.85 ERCC5 (0.46) L3MBTL1CREBBPALDH1A1ERCC5HDAC1
SCHEMBL3096925 0.84 TSHR (0.41) L3MBTL1ALDH1A1LMNA
SCHEMBL3096936 0.83 ALDH1A1 (0.49) L3MBTL1POLBTDP1ALDH1A1LMNA
SCHEMBL3093669 0.81 TGM2 (0.44) POLBTDP1ALDH1A1LMNA
SCHEMBL3097709 0.78 KLKB1 (0.45) L3MBTL1POLBTDP1KLKB1ALDH1A1
SCHEMBL13153113 0.78 L3MBTL1 (0.56) L3MBTL1CREBBPSCDSCD5POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 L3MBTL1 4273/4885CREBBP 2134/4885SCD 504/4885

“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.