SCHEMBL805268

SCHEMBL805268

CC(=O)CCCN1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
TSHR P16473 2/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PIK3CD O00329 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL13804326 0.89 KMT2A (0.54) KMT2ATSHRRAB9ANPC1PIK3CD
SCHEMBL855306 0.84 TSHR (0.50) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4575280 0.84 TSHR (0.65) KMT2ATSHRRAB9ANPC1PIK3CD
SCHEMBL24774945 0.83 KMT2A (0.47) KMT2ATSHRRAB9ANPC1PIK3CD
SCHEMBL17688541 0.83 KMT2A (0.45) KMT2ATSHRRAB9ANPC1PIK3CD
SCHEMBL403516 0.82 TSHR (0.49) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7439969 0.82 TSHR (0.49) KMT2ATSHRRAB9ANPC1MEN1
SCHEMBL20329217 0.82 KMT2A (0.47) KMT2ATSHRRAB9APIK3CDL3MBTL1
SCHEMBL800617 0.81 PIK3CD (0.50) KMT2ATSHRRAB9ANPC1PIK3CD
SCHEMBL17057313 0.81 KMT2A (0.59) KMT2ATSHRRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541124-B2 Biologically active compound conjugated to a stapled or stitched peptide SUTURA THERAPEUTICS LTD (TC) 2023-01-03 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 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 (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-11541124-B2 Biologically active compound conjugated to a stapled or stitched peptide BPGM, TMPO, SLC7A1 KMT2A 4188/4885TSHR 3970/4885RAB9A 2796/4885
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A KMT2A 1173/4885TSHR 4290/4885RAB9A 212/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B KMT2A 1820/4885TSHR 3406/4885RAB9A 851/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 KMT2A 1219/4885TSHR 4460/4885RAB9A 693/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 KMT2A 1007/4885TSHR 4446/4885RAB9A 645/4885

“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.