SCHEMBL3624434

SCHEMBL3624434

CCOC(=O)CNc1cccc2c1C(=O)c1sccc1CS2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
NLRP3 Q96P20 2/20 0.34
PTPN1 P18031 1/20 0.34
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3624477 0.80 LMNA (0.36) ALDH1A1KDM4EHTTNLRP3PTPN1
SCHEMBL3621875 0.76 METAP1 (0.41) TP53MAPTELANELMNAPOLB
SCHEMBL5764585 0.71 PDK1 (0.44)
SCHEMBL5764100 0.71 PDK1 (0.44)
SCHEMBL3613839 0.71 MAPT (0.40) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL3618237 0.70 KMT2A (0.35) NPSR1TP53ALDH1A1KDM4EHTT
SCHEMBL3619699 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3617351 0.69 MAPK14 (0.34) ALDH1A1GAA
SCHEMBL3612591 0.68 CXCR2 (0.37) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL3615403 0.67 MEN1 (0.33) TP53MAPT

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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-10-21 US disclosed
EP-2077122-A1 THERAPEUTIC AGENTS FOR IRRITABLE BOWEL SYNDROME Kyowa Hakko Kirin Co., Ltd. (JP) 2009-07-08 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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME SLC10A2, ADORA3, HRH2 NPSR1 124/4885TP53 4862/4885ALDH1A1 2691/4885

“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.