SCHEMBL3016271

SCHEMBL3016271

CC(C)(C)OC(=O)C(N)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 7/20 0.41
POLB P06746 3/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
AGTR1 P30556 1/20 0.38
CYP2C19 P33261 2/20 0.37

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
SCHEMBL5187859 0.81 ALOX5 (0.45) ALOX5KMT2APOLBPKMPTPN1
Hydrochloric Acid SCHEMBL5214675 0.79 ALOX5 (0.44) ALOX5KMT2APOLBPKMPTPN1
Bromide SCHEMBL17420892 0.79 ALOX5 (0.44) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL17017513 0.78 L3MBTL1 (0.49) ALOX5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7288251 0.78 NOS1 (0.43) ALOX5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10920831 0.78 SMN1; SMN2 (0.40) ALOX5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10821253 0.76 KMT2A (0.43) ALOX5SMN1; SMN2KMT2APOLBPKM
SCHEMBL24591314 0.75 CTSS (0.49) ALOX5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24591312 0.75 CTSS (0.49) ALOX5SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10821255 0.75 KMT2A (0.42) ALOX5SMN1; SMN2KMT2APOLBPKM

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
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP disclosed
US-8293895-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-10-23 US disclosed
CN-101720326-B Novel carbapenem derivatives KBP BIOSCIENCES CO LTD 2012-07-18 CN disclosed
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES KBP BIOSCIENCES CO., LTD. (CN) 2010-08-05 US disclosed
EP-2177522-A1 NOVEL CARBAPENEM DERIVATIVES KBP Biosciences Co., Ltd. (CN) 2010-04-21 EP 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 (1 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-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES SI, MGAM, IDE ALOX5 3289/4885SMN1; SMN2 1425/4885NPC1 1388/4885

“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.