SCHEMBL3552616

SCHEMBL3552616

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
ACLY P53396 1/20 0.51
GPR27 Q9NS67 5/20 0.51
AVPR2 P30518 4/20 0.51
MCL1 Q07820 1/20 0.50
SERPINE1 P05121 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KDM1A O60341 1/20 0.48
NR1H3 Q13133 1/20 0.48
HTR6 P50406 1/20 0.47

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
SCHEMBL3553456 0.90 MEN1 (0.50) ARACLYGPR27AVPR2MCL1
SCHEMBL3564989 0.89 PTPN5 (0.57) SERPINE1HDAC1HDAC8HDAC4HDAC3
SCHEMBL3556577 0.88 HDAC1 (0.60) MCL1HDAC1HDAC8HDAC4HTR6
SCHEMBL3564095 0.88 MAPT (0.57) ARACLYGPR27AVPR2KDM1A
SCHEMBL3554975 0.88 KMT2A (0.62) ARACLYSERPINE1HDAC1HDAC8
SCHEMBL3562024 0.87 SLC16A3 (0.58) ARGPR27AVPR2HDAC1HDAC8
SCHEMBL3554424 0.86 UQCRB (0.56) MCL1HDAC1HDAC8HDAC4HDAC3
SCHEMBL3554803 0.86 SLC16A3 (0.57) HDAC1HDAC8HDAC4HTR6MAPT
SCHEMBL3560780 0.86 HDAC1 (0.51) ARGPR27AVPR2MCL1SERPINE1
SCHEMBL3561583 0.86 GHSR (0.46) HDAC1HDAC8HDAC4HTR6MEN1

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 AR 3412/4885ACLY 586/4885GPR27 689/4885

“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.