SCHEMBL3755534

SCHEMBL3755534

CC(C)(NC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ERAP1 Q9NZ08 3/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SHMT1 P34896 1/20 0.47
SHMT2 P34897 1/20 0.47
FABP2 P12104 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL3096264 0.85 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8084321 0.84 POLB (0.54) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12302098 0.83 ALDH1A1 (0.55) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24534686 0.83 HDAC1 (0.60) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12024323 0.83 POLB (0.53) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2949568 0.82 POLB (0.61) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL343830 0.82 POLB (0.65) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3752476 0.82 POLB (0.53) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1742088 0.81 EGLN1 (0.50) POLBNPC1RAB9AKDM4EALDH1A1
SCHEMBL22987120 0.81 MAPT (0.49) POLBNPC1RAB9ASMN1; SMN2KDM4E

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
CN-111196772-B Aroylamino isobutyryl derivative and application thereof 沈阳化工研究院有限公司 2022-09-30 CN disclosed
CN-111196772-A Aroylamino isobutyryl derivative and application thereof 沈阳化工研究院有限公司 2020-05-26 CN disclosed
WO-2017115329-A1 C-3 NOVEL TRITERPENONE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-07-06 WO disclosed
EP-2212334-B1 PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2012-08-15 EP disclosed
US-7838673-B2 Proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
EP-2212334-A1 PROTEASOME INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-08-04 EP disclosed
WO-2009051581-A1 PROTEASOME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 WO disclosed
US-20090099132-A1 Proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-16 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 (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-20090099132-A1 Proteasome inhibitors PSMB5, PSMG3, PSMB1 POLB 836/4885NPC1 1095/4885RAB9A 2935/4885

“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.