SCHEMBL2220609

SCHEMBL2220609

CC(C)(C)C(Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP2 P08253 3/20 0.44
CA12 O43570 1/20 0.44
ABCC9 O60706 2/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ11 Q14654 2/20 0.42
KCNJ8 Q15842 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 2/20 0.39
MMP3 P08254 2/20 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
SCHEMBL2220603 1.00 MEN1 (0.45) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL3047727 0.83 HCRTR2 (0.45) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL7936084 0.83 HCRTR2 (0.45) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL2339082 0.83 MMP2 (0.50) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL11204276 0.82 PDK1 (0.46) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL636085 0.81 RAB9A (0.44) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL13224065 0.80 MMP2 (0.50) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL3042876 0.80 MMP2 (0.50) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL13336876 0.78 MEN1 (0.47) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL2221800 0.78 MMP2 (0.50) MEN1KMT2ARAB9AMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358736-A1 THERAPEUTIC ANTIVIRAL PEPTIDES Intermune, Inc. (US) 2011-08-24 EP disclosed
US-20110178107-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-07-21 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 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 (2 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-20110178107-A1 HCV PROTEASE INHIBITORS HAVCR2, RNASE1, SERPINB1 MEN1 4519/4885KMT2A 3358/4885NPC1 365/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS MEN1 4087/4885KMT2A 4691/4885NPC1 525/4885

“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.