SCHEMBL2625474

SCHEMBL2625474

Cc1ccc(C(=O)C(C)(C)C)o1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.50
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL23682809 0.86 HDAC6 (0.44) KLK7TSHRALDH1A1HTTKDM4E
SCHEMBL12310993 0.81 HDAC4 (0.59) KLK7HPGDTSHRALDH1A1HTT
SCHEMBL10343371 0.80 HPGD (0.46) KLK7HPGDTSHRALDH1A1POLB
SCHEMBL12310768 0.78 KLK7 (0.46) KLK7HPGDTSHRALDH1A1HTT
SCHEMBL10293768 0.77 MITF (0.47) TSHRALDH1A1L3MBTL1LMNAMEN1
SCHEMBL13152188 0.77 ALDH1A1 (0.48) HPGDTSHRALDH1A1HTTMAPT
SCHEMBL9349735 0.77 KLK7 (0.57) KLK7HPGDTSHRALDH1A1HTT
SCHEMBL19681459 0.77 KLK7 (0.57) KLK7HPGDTSHRALDH1A1HTT
SCHEMBL143244 0.75
SCHEMBL183532 0.75

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
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 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 (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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 KLK7 1132/4885HPGD 1736/4885TSHR 678/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B KLK7 4390/4885HPGD 2493/4885TSHR 4197/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 KLK7 3290/4885HPGD 2234/4885TSHR 1343/4885

“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.