SCHEMBL3557553

SCHEMBL3557553

O=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.53
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
PKM P14618 1/20 0.44
AKR1C3 P42330 1/20 0.44
FOLH1 Q04609 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
WDR5 P61964 1/20 0.43

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
SCHEMBL3550550 0.95 SLC16A3 (0.48) SLC16A3ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL3557380 0.94 SLC16A3 (0.52) SLC16A3ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL3558537 0.87 TSHR (0.56) SLC16A3ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL3560281 0.84 SLC16A3 (0.74) SLC16A3KDM4EKMT2AAKR1C3
SCHEMBL3551731 0.84 PKM (0.53) SLC16A3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3561073 0.84 SLC16A3 (0.65) SLC16A3PKMAKR1C3SLC40A1
SCHEMBL3566056 0.84 TSHR (0.55) SLC16A3ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL3554591 0.83 ALDH1A1 (0.60) SLC16A3ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL3557144 0.82 TSHR (0.54) SLC16A3ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL3556581 0.82 SLC16A3 (0.58) SLC16A3ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885ALDH1A1 61/4885HSD17B10 236/4885

“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.