SCHEMBL3852076

SCHEMBL3852076

C[C@H](N)C(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTPN1 P18031 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR7 P34969 1/20 0.41
MAPT P10636 1/20 0.41
DPP4 P27487 1/20 0.41
LTA4H P09960 1/20 0.41
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL9040915 1.00 CES2 (0.50) CES2CES1CA1CA2BCL2L1
Hydrochloric Acid SCHEMBL9024450 0.98 CES2 (0.48) CES2CES1CA1CA2BCL2L1
Hydrochloric Acid SCHEMBL3846176 0.98 CES2 (0.48) CES2CES1CA1CA2BCL2L1
SCHEMBL6726501 0.82 CES2 (0.54) CES2CES1CA1CA2BCL2L1
SCHEMBL204960 0.82 CES2 (0.54) CES2CES1CA1CA2BCL2L1
Hydrochloric Acid SCHEMBL27330884 0.82 CES2 (0.45) CES2CES1CA1CA2BCL2L1
SCHEMBL2631353 0.80 ALDH1A1 (0.52) CES2CES1ALDH1A1NPC1HPGD
Hydroxylated Completely Delakylated Diethylpropion SCHEMBL5319402 0.80 CA1 (0.50) CES2CA1CA2HPGDSLC6A2
SCHEMBL16694617 0.80 ALDH1A1 (0.52) CES2CES1ALDH1A1NPC1HPGD
SCHEMBL9364482 0.80 LMNA (0.44) ALDH1A1NPC1HPGDSLC6A3RAB9A

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-9814784-B2 Antibody-linker-drug conjugate, preparation method therefor, and anticancer drug composition containing same CELLTRION, INC. (KR) 2017-11-14 US disclosed
US-20150366990-A1 ANTIBODY-LINKER-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND ANTICANCER DRUG COMPOSITION CONTAINING SAME CELLTRION, INC. (KR) 2015-12-24 US disclosed
EP-2927227-A1 ANTIBODY-LINKER-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND ANTICANCER DRUG COMPOSITION CONTAINING SAME Celltrion, Inc. (KR) 2015-10-07 EP disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 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-20150366990-A1 ANTIBODY-LINKER-DRUG CONJUGATE, PREPARATION METHOD THEREFOR, AND ANTICANCER DRUG COMPOSITION CONTAINING SAME WEE1, NOTUM, WEE2 CES2 1192/4885CES1 230/4885CA1 1068/4885

“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.