SCHEMBL3092586

SCHEMBL3092586

CC(C)N(C(=O)C(Cc1nnnn1C)C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TACR1 P25103 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KLRK1 P26718 1/20 0.37
MICA Q29983 1/20 0.37
RAET1L Q5VY80 1/20 0.37
AKR1C3 P42330 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RORC P51449 1/20 0.34
CBLB Q13191 1/20 0.34

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
SCHEMBL3103474 0.90 ALOX15 (0.40) ALDH1A1LMNATACR1SMN1; SMN2KLRK1
SCHEMBL3093772 0.83 KAT6A (0.43) ALDH1A1LMNAPPARGHTR1AHTR2A
SCHEMBL3085976 0.80 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL3093723 0.76 MEN1 (0.37) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL3097269 0.71 HTR2A (0.47) LMNAMAPTNPSR1PPARGPPARA
SCHEMBL3093131 0.70 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL3090654 0.70 SLC5A1 (0.34) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL3100123 0.69 HSD11B1 (0.50) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8600117 0.68 NPSR1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL11566296 0.67 NPSR1 (0.48) ALDH1A1TACR1SMN1; SMN2MEN1KMT2A

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
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP 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
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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 ALDH1A1 617/4885LMNA 3803/4885TACR1 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.