SCHEMBL3555671

SCHEMBL3555671

CCCc1ccc(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.57
KDR P35968 1/20 0.52
HDAC8 Q9BY41 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC4 P56524 1/20 0.51
HTR6 P50406 1/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 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
SCHEMBL3558903 0.93 FFAR1 (0.59) METAP2HDAC8ALDH1A1HDAC1HDAC4
SCHEMBL3557166 0.93 ALDH1A1 (0.60) METAP2HDAC8ALDH1A1HDAC1HDAC4
SCHEMBL3556577 0.91 HDAC1 (0.60) METAP2HDAC8ALDH1A1HDAC1HDAC4
SCHEMBL3555122 0.91 ALDH1A1 (0.64) HDAC8ALDH1A1HDAC1HDAC4FFAR1
SCHEMBL3562892 0.90 METAP2 (0.57) METAP2ALDH1A1HTR6KEAP1NFE2L2
SCHEMBL3554803 0.89 SLC16A3 (0.57) HDAC8ALDH1A1HDAC1HDAC4HTR6
SCHEMBL3554424 0.89 UQCRB (0.56) HDAC8ALDH1A1HDAC1HDAC4HTR6
SCHEMBL3555641 0.88 KDM4E (0.61) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL3560714 0.88 CA12 (0.62) HDAC8ALDH1A1HDAC1HDAC4HTR6
SCHEMBL3561329 0.88 SMN1; SMN2 (0.58) METAP2HDAC1FFAR1FFAR4MEN1

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 METAP2 2438/4885KDR 2026/4885HDAC8 2985/4885

“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.