SCHEMBL5717211

SCHEMBL5717211

c1ccc(COCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
EPHX2 P34913 1/20 0.43
NAAA Q02083 3/20 0.41
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
TACR1 P25103 2/20 0.40
LTA4H P09960 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL4686266 0.94 TSHR (0.54) TSHRL3MBTL1TDP1HRH4HRH3
Bromide SCHEMBL29284774 0.92 TSHR (0.52) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL14128885 0.88 TSHR (0.56) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2640223 0.85 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL18194691 0.85 L3MBTL1 (0.67) L3MBTL1TDP1NAAAGBA1UGCG
SCHEMBL9011734 0.83 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011595 0.83 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011624 0.83 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011715 0.83 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011646 0.83 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 US disclosed
US-7119203-B2 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
EP-1689743-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2006-08-16 EP disclosed
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
WO-2005042521-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed
EP-1501827-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-02-02 EP disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO 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 (5 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 2042/4885L3MBTL1 4664/4885TDP1 4701/4885
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 TSHR 2335/4885L3MBTL1 3215/4885TDP1 2659/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 2042/4885L3MBTL1 4664/4885TDP1 4701/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 TSHR 2335/4885L3MBTL1 3215/4885TDP1 2659/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TSHR 2042/4885L3MBTL1 4664/4885TDP1 4701/4885

“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.