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
SCHEMBL24534686 0.83 HDAC1 (0.60) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12302098 0.83 ALDH1A1 (0.55) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12024323 0.83 POLB (0.53) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL343830 0.82 POLB (0.65) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2949568 0.82 POLB (0.61) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3752476 0.82 POLB (0.53) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22987120 0.81 MAPT (0.49) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1742088 0.81 EGLN1 (0.50) POLBNPC1RAB9AKDM4EALDH1A1

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.

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