SCHEMBL17192516

SCHEMBL17192516

COC(=O)OC1/C=C/CCCCC1NC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR2 P41597 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL18891296 0.90 NPC1 (0.32) NPC1HTTRAB9ASMN1; SMN2CCR2
SCHEMBL20017277 0.90 NPC1 (0.33) NPC1HTTRAB9ASMN1; SMN2CCR2
SCHEMBL15750314 0.86 MAPT (0.36) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23869750 0.86 NPC1 (0.33) NPC1HTTRAB9ASMN1; SMN2CCR2
SCHEMBL17192510 0.86 RAB9A (0.34) NPC1HTTRAB9ASMN1; SMN2CCR2
SCHEMBL18891293 0.85 NPC1 (0.33) NPC1HTTRAB9ASMN1; SMN2CCR2
SCHEMBL17192511 0.85 NPC1 (0.36) NPC1HTTRAB9ASMN1; SMN2CCR2
SCHEMBL24268557 0.84 MAPT (0.32) MAPT
SCHEMBL18891292 0.84 NPC1 (0.33) NPC1HTTRAB9ASMN1; SMN2CCR2
SCHEMBL21250290 0.80 CCR2 (0.30) NPC1HTTRAB9ASMN1; SMN2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2017-05-25 US disclosed
US-9421274-B2 Bio-orthogonal drug activation KONINKLIJKE PHILIPS N.V. (NL) 2016-08-23 US disclosed
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2016-04-21 US disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 US disclosed
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 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-20170143840-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS NPC1 4317/4885HTT 4442/4885RAB9A 1583/4885
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 NPC1 4177/4885HTT 3673/4885RAB9A 4672/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 NPC1 4231/4885HTT 3948/4885RAB9A 2831/4885
US-20160106859-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS NPC1 4317/4885HTT 4442/4885RAB9A 1583/4885

“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.