SCHEMBL836437

SCHEMBL836437

CNC(=O)CCC(C)SSc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 8/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
MAPK10 P53779 1/20 0.39
RGS12 O14924 1/20 0.39

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
SCHEMBL25853943 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL24393470 0.90 HDAC6 (0.46) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL2157165 0.88 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL16132816 0.85 ALDH1A1 (0.54) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL25854290 0.85 EHMT2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL1395632 0.85 ALDH1A1 (0.54) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL19193751 0.80 EHMT2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL24336889 0.79 KMT2A (0.52) HPGDKMT2AMEN1RAB9AALDH1A1
SCHEMBL18958956 0.79 LMNA (0.40) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL14983689 0.78 SMN1; SMN2 (0.48) SMN1; SMN2HPGDKMT2AMEN1PKM

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-11696956-B2 Bicyclic peptide ligands specific for EphA2 BICYCLETX LIMITED (GB) 2023-07-11 US disclosed
US-11672868-B2 Bicyclic peptide ligands specific for MT1-MMP Bicyclerd Limited (GB) 2023-06-13 US disclosed
WO-2020148528-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR INTEGRIN αVβ3 Bicyclerd Limited (GB) 2020-07-23 WO disclosed
US-20140128580-A1 ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. (US) 2014-05-08 US disclosed
US-8652479-B2 Antibody-drug conjugates and methods GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8142784-B2 Antibody-drug conjugates and methods GENENTECH, INC. (US) 2012-03-27 US disclosed
US-20090202536-A1 ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH, INC. (US) 2009-08-13 US disclosed
US-20080171040-A1 Maytansinoids linked to antibody which binds to ErbB receptor, or which binds tumor-associated antigens or cell-surface receptors GENENTECH, INC. (US) 2008-07-17 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 (5 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-20090202536-A1 ANTIBODY-DRUG CONJUGATES AND METHODS ERBB2, EGFR, ERBB4 SMN1; SMN2 4586/4885HPGD 990/4885HSD17B10 1681/4885
US-11696956-B2 Bicyclic peptide ligands specific for EphA2 EPHA2, EPHB2, ERBB2 SMN1; SMN2 3128/4885HPGD 3571/4885HSD17B10 3653/4885
US-11672868-B2 Bicyclic peptide ligands specific for MT1-MMP MMEL1, MMP3, TIMP3 SMN1; SMN2 2304/4885HPGD 1617/4885HSD17B10 2466/4885
US-20080171040-A1 Maytansinoids linked to antibody which binds to ErbB receptor, or which binds tumor-associated antigens or cell-surface receptors ERBB2, EGFR, ERBB4 SMN1; SMN2 4722/4885HPGD 1051/4885HSD17B10 2257/4885
US-20140128580-A1 ANTIBODY-DRUG CONJUGATES AND METHODS ERBB2, EGFR, ERBB4 SMN1; SMN2 4586/4885HPGD 990/4885HSD17B10 1681/4885

“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.