SCHEMBL800617

SCHEMBL800617

CC(C)C(=O)CCCN1CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
KMT2A Q03164 4/20 0.48
TSHR P16473 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13841026 0.90 PIK3CD (0.53) PIK3CDKMT2ATSHRRAB9ANPC1
SCHEMBL805268 0.81 KMT2A (0.51) PIK3CDKMT2ATSHRRAB9ANPC1
SCHEMBL855306 0.80 TSHR (0.50) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4575280 0.80 TSHR (0.65) PIK3CDKMT2ATSHRRAB9ANPC1
SCHEMBL12419079 0.80 TSHR (0.59) PIK3CDKMT2ATSHRMEN1
SCHEMBL403516 0.78 TSHR (0.49) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7439969 0.78 TSHR (0.49) KMT2ATSHRRAB9ANPC1MEN1
SCHEMBL27418304 0.77 KMT2A (0.51) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL17057313 0.77 KMT2A (0.59) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL9911470 0.77 RAB9A (0.56) KMT2ARAB9ANPC1SMN1; SMN2MEN1

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-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-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 (4 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-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A PIK3CD 1047/4885KMT2A 1173/4885TSHR 4290/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B PIK3CD 1385/4885KMT2A 1820/4885TSHR 3406/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 PIK3CD 799/4885KMT2A 1219/4885TSHR 4460/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 PIK3CD 714/4885KMT2A 1007/4885TSHR 4446/4885

“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.