SCHEMBL17229451

SCHEMBL17229451

CC(C)NCCNC(=O)CCCSC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ADRB2 P07550 8/20 0.36
ADRB1 P08588 5/20 0.36
TSHR P16473 1/20 0.36
FAAH O00519 5/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
CASP2 P42575 1/20 0.33
CNR1 P21554 1/20 0.33
HPGD P15428 1/20 0.33
DNM1 Q05193 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL22015537 0.81 CASP2 (0.50) FAAHCASP2CNR1HPGDDNM1
SCHEMBL20420476 0.81 LMNA (0.51) ALDH1A1TSHRLMNAPKMCNR1
SCHEMBL19350634 0.79 ALDH1A1 (0.47) ALDH1A1ADRB2ADRB1TSHRFAAH
SCHEMBL13462684 0.79 FAAH (0.50) ALDH1A1ADRB2FAAHCASP2CNR1
SCHEMBL22015478 0.79 ALDH1A1 (0.41) ALDH1A1TSHRFAAHLMNAPKM
SCHEMBL25063756 0.77 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1TSHRFAAH
SCHEMBL17070318 0.76 ALDH1A1 (0.35) ALDH1A1TSHRFAAHLMNAPKM
SCHEMBL17070320 0.76 LPAR1 (0.37) ALDH1A1TSHRFAAHLMNAPKM
SCHEMBL9371834 0.76 FAAH (0.61) ALDH1A1FAAHCASP2CNR1HPGD
SCHEMBL9368530 0.76 FAAH (0.61) ALDH1A1FAAHCASP2CNR1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-10-10 US disclosed
US-20170209595-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-07-27 US disclosed
US-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-07-20 US disclosed
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 US disclosed
US-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 US disclosed
US-20170151346-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-01 US disclosed
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2017-05-25 US disclosed
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE Sushou M-conj Biotech Co., Ltd (CN) 2015-11-12 US disclosed
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2015-11-05 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 (9 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-20170151346-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM ALDH1A1 900/4885ADRB2 4856/4885ADRB1 4849/4885
US-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A ALDH1A1 429/4885ADRB2 3928/4885ADRB1 3656/4885
US-20170209595-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM ALDH1A1 900/4885ADRB2 4856/4885ADRB1 4849/4885
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A ALDH1A1 429/4885ADRB2 3928/4885ADRB1 3656/4885
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A ALDH1A1 429/4885ADRB2 3928/4885ADRB1 3656/4885
US-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM ALDH1A1 900/4885ADRB2 4856/4885ADRB1 4849/4885
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE DCLRE1A, AADAC, UACA ALDH1A1 952/4885ADRB2 4800/4885ADRB1 4690/4885
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH ALDH1A1 743/4885ADRB2 4822/4885ADRB1 4835/4885
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM ALDH1A1 900/4885ADRB2 4856/4885ADRB1 4849/4885

“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.