SCHEMBL12227663

SCHEMBL12227663

O=COCC1CCCCN1C(=O)CCCCC(S)CCS

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL12227664 0.97 MEN1 (0.36) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL10036511 0.83 MEN1 (0.34) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL10036514 0.79 SPHK1 (0.31) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL7910571 0.76 ACE (0.46) MAPT
SCHEMBL7916721 0.74 SMN1; SMN2 (0.35) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL10036499 0.73 MEN1 (0.35) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL10067468 0.72 ACE (0.50) MAPTCYP2C19
SCHEMBL7924504 0.72 ACE (0.50) MAPTCYP2C19
SCHEMBL10036509 0.72 SIGMAR1 (0.49) MEN1KMT2AGALR3CYP2C9
SCHEMBL12227668 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders CARMEL BIOSCIENCES, INC. 2011-10-20 — — 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-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders REN, ACE, AGT MEN1 1876/4885KMT2A 3405/4885GALR3 4109/4885

“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.

Send feedback