Sugi Predict

Sugi Predict / Compounds / SCHEMBL10111909

SCHEMBL10111909

SCHEMBL10111909

COC(=O)Oc1cc2c(c3ccccc13)C(CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ EGFR P00533 6/20 0.40
▸ PIK3CA P42336 6/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ PYGL P06737 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADH1A P07327 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ABL2 P42684 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ SMO Q99835 1/20 0.38

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
SCHEMBL13669002 0.94 MMP13 (0.40) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL15047618 0.94 EGFR (0.41) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL22512603 0.94 NPC1 (0.46) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL10111995 0.93 NPC1 (0.40) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL15047620 0.93 NPC1 (0.38) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL22512600 0.93 EGFR (0.42) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL468976 0.91 NPC1 (0.39) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL13373405 0.91 NPC1 (0.36) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL21094250 0.91 NPC1 (0.41) NPC1RAB9AEGFRPIK3CAKDM1A
SCHEMBL17413316 0.90 NPC1 (0.38) NPC1RAB9AEGFRPIK3CAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288557-B2 Bivalent linkers and conjugates thereof ENDOCYTE, INC. (US) 2012-10-16 — — US disclosed
US-8288557-B2 Bivalent linkers and conjugates thereof ENDOCYTE, INC. (US) 2012-10-16 — — US disclosed
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 — — US disclosed
US-8105568-B2 Vitamin receptor binding drug delivery conjugates ENDOCYTE, INC. (US) 2012-01-31 — — US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 — — US disclosed
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VLAHOV IONTCHO R 2010-01-07 — — US disclosed
US-20090203889-A1 Bivalent linkers and conjugates thereof ENDOCYTE, INC. (US) 2009-08-13 — — US disclosed
US-20090203889-A1 Bivalent linkers and conjugates thereof ENDOCYTE, INC. (US) 2009-08-13 — — 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 (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-20090203889-A1 Bivalent linkers and conjugates thereof CCNB2, PAICS, FOLR2 NPC1 3587/4885RAB9A 2353/4885EGFR 1003/4885
US-20100004276-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 NPC1 1188/4885RAB9A 2572/4885EGFR 414/4885

“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.