SCHEMBL19743033

SCHEMBL19743033

COc1cccc(S(=O)(=O)c2c(N3C(=O)c4ccccc4C3=O)n(C3CCCCC3)c3nccnc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.37
NR1H3 Q13133 3/20 0.37
PIK3CA P42336 4/20 0.36
GLO1 Q04760 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
NFE2L2 Q16236 2/20 0.36
PRKDC P78527 1/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
DNMT1 P26358 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17379164 0.90 FFAR2 (0.39) ALDH1A1KDM4ENPSR1MEN1GAA
SCHEMBL19743029 0.87 HTR6 (0.40) HTR6PIK3CANFE2L2ALDH1A1KDM4E
SCHEMBL19743075 0.86 TP53 (0.36) TNFLITAFGAAHPGDFFAR2
SCHEMBL19754833 0.85 KMT2A (0.40) ALDH1A1KDM4ENPSR1MEN1GAA
SCHEMBL19743054 0.84 FFAR2 (0.41) PIK3CATNFLITAFALDH1A1KDM4E
SCHEMBL19743020 0.83 ALDH1A1 (0.44) HTR6PIK3CAGLO1SLC40A1NFE2L2
SCHEMBL19742996 0.81 KDM4E (0.37) TNFLITAFALDH1A1KDM4EMEN1
SCHEMBL19743064 0.81 CCR9 (0.39) HTR6PIK3CAPRKDCTNFLITAF
SCHEMBL19742992 0.81 FFAR2 (0.41) PIK3CAPRKDCALDH1A1KDM4ENPSR1
SCHEMBL19743049 0.80 ALDH1A1 (0.36) NR1H3PIK3CAGLO1PRKDCALDH1A1

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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US disclosed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 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 (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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 HTR6 28/4885NR1H3 690/4885PIK3CA 4054/4885

“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.