SCHEMBL13153531

SCHEMBL13153531

CC(C)(C)Cc1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.63
▸ KCNK9 Q9NPC2 6/20 0.63
▸ NR1H4 Q96RI1 2/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ SIRT1 Q96EB6 1/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ PTGES O14684 1/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NLRP3 Q96P20 1/20 0.55
▸ PPARG P37231 1/20 0.54
▸ PPARD Q03181 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ TP53 P04637 1/20 0.54

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
SCHEMBL1690508 0.85 MEN1 (0.68) KCNK3KCNK9NR1H4KMT2ARAB9A
SCHEMBL12314962 0.83 KCNK9 (0.69) KCNK3KCNK9NR1H4KMT2ASIRT1
SCHEMBL13152874 0.83 NPC1 (0.60) NR1H4KMT2ASIRT1RAB9AMEN1
SCHEMBL1690814 0.81 ALDH1A1 (0.57) KMT2ARAB9AMEN1POLBNLRP3
SCHEMBL22542978 0.81 KCNK3 (0.71) KCNK3KCNK9NR1H4KMT2ASIRT1
SCHEMBL8902663 0.81 KCNK3 (0.71) KCNK3KCNK9NR1H4KMT2ASIRT1
SCHEMBL20473774 0.81 KCNK3 (0.71) KCNK3KCNK9NR1H4KMT2ASIRT1
SCHEMBL13153532 0.81 GRM4 (0.60) KCNK3KCNK9SIRT1RAB9ANPC1
SCHEMBL27326763 0.81 KCNK9 (0.65) KCNK3KCNK9NR1H4KMT2ASIRT1
SCHEMBL6681834 0.80 KCNK3 (0.69) KCNK3KCNK9KMT2ASIRT1RAB9A

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 5 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 — — 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 (2 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 KCNK3 957/4885KCNK9 924/4885NR1H4 211/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 KCNK3 2100/4885KCNK9 3258/4885NR1H4 220/4885

“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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