SCHEMBL4375068

SCHEMBL4375068

O[C@H](Cc1ccccc1)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.45
PDPK1 O15530 1/20 0.44
CTSA P10619 2/20 0.43
PKM P14618 1/20 0.42
ALOX5 P09917 1/20 0.41
HSPA1A P0DMV8 1/20 0.41
HSPA5 P11021 1/20 0.41
HSPA9 P38646 1/20 0.41
HSPA2 P54652 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PLA2G4A P47712 1/20 0.41
LMNA P02545 2/20 0.40
PTPRB P23467 1/20 0.40
CES1 P23141 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7610883 1.00 ADRB3 (0.45) ADRB3PDPK1CTSAPKMALOX5
SCHEMBL20586652 0.85 PLA2G4A (0.44) ADRB3PDPK1CTSAALOX5KDM4E
SCHEMBL16198433 0.82 ANPEP (0.43) ADRB3CTSALMNAPTPRBADAM17
SCHEMBL7269817 0.82 HSPA1A (0.40) ADRB3PDPK1CTSAPKMALOX5
SCHEMBL7269813 0.82 HSPA1A (0.40) ADRB3PDPK1CTSAPKMALOX5
SCHEMBL7269816 0.82 HSPA1A (0.40) ADRB3PDPK1CTSAPKMALOX5
SCHEMBL7269821 0.82 HSPA1A (0.40) ADRB3PDPK1CTSAPKMALOX5
SCHEMBL1952256 0.82 PLA2G4A (0.52) PLA2G4ALMNACES1L3MBTL1SMN1; SMN2
SCHEMBL19258127 0.82 HSPA1A (0.40) ADRB3PDPK1CTSAPKMALOX5
SCHEMBL7269324 0.82 HSPA1A (0.40) ADRB3PDPK1CTSAPKMALOX5

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2024-03-05 US disclosed
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2023-05-30 US disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 EP disclosed
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 EP disclosed
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-12-06 US disclosed
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-12-06 US disclosed
US-20220105195-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2022-04-07 US disclosed
EP-3388427-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2022-01-19 EP disclosed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 US disclosed
CN-1146535-C Preparing method for azide derivatives 卫材株式会社 2004-04-21 CN disclosed
EP-0867431-B1 Process for the preparation of azide derivatives EISAI CO LTD (JP) 2002-06-05 EP disclosed
US-5986088-A Process for the preparation of azide derivatives EISAI CO., LTD. (JP) 1999-11-16 US disclosed
EP-0867431-A1 Process for the preparation of azide derivatives Eisai Chemical Co., Ltd. (JP) 1998-09-30 EP disclosed
CN-1194264-A Preparing method for azide derivatives EISAI CO LTD (JP) 1998-09-30 CN 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 (7 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR ADRB3 1746/4885PDPK1 4709/4885CTSA 3857/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR ADRB3 1746/4885PDPK1 4709/4885CTSA 3857/4885
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 ADRB3 3260/4885PDPK1 3505/4885CTSA 2154/4885
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR ADRB3 74/4885PDPK1 4580/4885CTSA 3308/4885
US-11918656-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 ADRB3 3260/4885PDPK1 3505/4885CTSA 2154/4885
US-11661457-B2 IGF-1R antibody-drug-conjugate and its use for the treatment of cancer IGF1R, IGFBP1, IGFBP5 ADRB3 2778/4885PDPK1 1398/4885CTSA 2992/4885
US-20220105195-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 ADRB3 3102/4885PDPK1 3444/4885CTSA 2740/4885

“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.