SCHEMBL6396558

SCHEMBL6396558

Cc1ccc(C(=O)CN2CC[C@H](SC(=O)c3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KCNH2 Q12809 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2J2 P51589 1/20 0.43
KDR P35968 1/20 0.43
GRIN2B Q13224 2/20 0.41
GRIN1 Q05586 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6396562 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6404814 0.93 ALDH1A1 (0.48) KMT2AALDH1A1KCNH2HTR2AHTR2C
SCHEMBL6404810 0.93 ALDH1A1 (0.48) KMT2AALDH1A1KCNH2HTR2AHTR2C
SCHEMBL6397584 0.89 GRIN2B (0.46) ALDH1A1RAB9AKCNH2HTR2AHTR2C
SCHEMBL6399855 0.88 HTR2A (0.58) KMT2AMEN1ALDH1A1KCNH2HTR2A
SCHEMBL6398900 0.87 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CYP2J2KDR
Trifluoroacetic Acid SCHEMBL6400597 0.86 HTR2A (0.44) KMT2AALDH1A1KCNH2HTR2AHTR2C
SCHEMBL6398215 0.84 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1KCNH2HTR2A
SCHEMBL6398224 0.84 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1KCNH2HTR2A
SCHEMBL6399721 0.80 ALDH1A1 (0.62) KMT2AALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 KMT2A 2222/4885MEN1 3773/4885ALDH1A1 1862/4885

“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.