SCHEMBL2157165

SCHEMBL2157165

CC(CCC(=O)NN)SSc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.44
HPGD P15428 4/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 7/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
MAPK10 P53779 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
SCHEMBL836437 0.88 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL24393470 0.88 HDAC6 (0.46) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL25853943 0.88 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL25854290 0.84 EHMT2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL16132816 0.84 ALDH1A1 (0.54) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL1395632 0.84 ALDH1A1 (0.54) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL19193751 0.79 EHMT2 (0.44) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL24336889 0.78 KMT2A (0.52) HPGDKMT2AMEN1RAB9AALDH1A1
SCHEMBL18958956 0.78 LMNA (0.40) SMN1; SMN2HPGDHSD17B10KMT2AMEN1
SCHEMBL31005453 0.77 KMT2A (0.46) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341050-A1 Cytotoxic agents containing novel potent taxanes and their therapeutic use ImmunoGen, Inc. (US) 2011-07-06 EP disclosed
US-7585857-B2 Cytotoxic agents comprising taxanes and their therapeutic use IMMUNOGEN INC. (US) 2009-09-08 US disclosed
US-7550609-B2 Cytotoxic agents comprising taxanes and their therapeutic use IMMUNOGEN INC. (US) 2009-06-23 US disclosed
US-7528130-B2 Cytotoxic agents comprising taxanes and their therapeutic use IMMUNOGEN INC. (US) 2009-05-05 US disclosed
US-7495114-B2 Cytotoxic agents containing novel potent taxanes and their therapeutic use IMMUNOGEN INC. (US) 2009-02-24 US disclosed
US-7476669-B2 Cytotoxic agents comprising taxanes and their therapeutic use IMMUNOGEN INC. (US) 2009-01-13 US disclosed
US-7414073-B2 Cytotoxic agents containing novel potent taxanes and their therapeutic use IMMUNOGEN INC. (US) 2008-08-19 US disclosed
US-7390898-B2 Cytotoxic agents containing novel potent taxanes and their therapeutic use IMMUNOGEN INC. (US) 2008-06-24 US disclosed
US-20080027130-A1 CYTOTOXIC AGENTS COMPRISING TAXANES AND THEIR THERAPEUTIC USE IMMUNOGEN INC. 2008-01-31 US disclosed
EP-1534674-A4 CYTOTOXIC AGENTS CONTAINING NOVEL POTENT TAXANES AND THEIR THERAPEUTIC USE IMMUNOGEN INC (US) 2007-11-28 EP disclosed
EP-1242438-A1 CYTOTOXIC AGENTS COMPRISING MODIFIED DOXORUBICINS AND DAUNORUBICINS AND THEIR THERAPEUTIC USE Immunogen, Inc. (US) 2002-09-25 EP disclosed
EP-1242401-A1 CYTOTOXIC AGENTS COMPRISING TAXANES AND THEIR THERAPEUTIC USE Immunogen, Inc. (US) 2002-09-25 EP disclosed
US-6436931-B1 COMPRISING ONE OR MORE TAXANES LINKED TO A CELL BINDING AGENT SUCH AS MONOCLONAL ANTIBODIES; NOVEL SULFUR-CONTAINING TAXANES IMMUNOGEN INC. 2002-08-20 US disclosed
US-20020086897-A1 CYTOTOXIC AGENTS COMPRISING TAXANES AND THEIR THERAPEUTIC USE IMMUNOGEN, INC. 2002-07-04 US disclosed
US-6372738-B2 PRODRUG WITH TAXANE AND CELL BINDING AGENT IMMUNOGEN INC. 2002-04-16 US disclosed
US-20020013485-A1 Cytotoxic agents comprising taxanes and their therapeutic use IMMUNOGEN, INC. 2002-01-31 US disclosed
US-6340701-B1 TAXANES CHEMICALLY LINKED TO CELL BINDING AGENT FOR DELIVERING TO SPECIFIC CELL POPULATION IN TARGETED FASHION IMMUNOGEN INC 2002-01-22 US disclosed
US-20010036923-A1 Cytotoxic agents comprising modified doxorubicins and daunorubicins and their therapeutic use IMMUNOGEN, INC. 2001-11-01 US disclosed
WO-2001049698-A1 CYTOTOXIC AGENTS COMPRISING MODIFIED DOXORUBICINS AND DAUNORUBICINS AND THEIR THERAPEUTIC USE IMMUNOGEN, INC. (US) 2001-07-12 WO disclosed
WO-2001038318-A1 CYTOTOXIC AGENTS COMPRISING TAXANES AND THEIR THERAPEUTIC USE IMMUNOGEN, INC. (US) 2001-05-31 WO 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 (4 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-20020013485-A1 Cytotoxic agents comprising taxanes and their therapeutic use TP53, MCL1, TOP1 SMN1; SMN2 236/4885HPGD 2903/4885HSD17B10 4135/4885
US-20020086897-A1 CYTOTOXIC AGENTS COMPRISING TAXANES AND THEIR THERAPEUTIC USE TP53, MCL1, TOP1 SMN1; SMN2 236/4885HPGD 2903/4885HSD17B10 4135/4885
US-20010036923-A1 Cytotoxic agents comprising modified doxorubicins and daunorubicins and their therapeutic use DDB1, MCL1, MTDH SMN1; SMN2 2008/4885HPGD 4390/4885HSD17B10 3983/4885
US-20080027130-A1 CYTOTOXIC AGENTS COMPRISING TAXANES AND THEIR THERAPEUTIC USE TP53, MCL1, TOP1 SMN1; SMN2 236/4885HPGD 2903/4885HSD17B10 4135/4885

“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.