SCHEMBL468025

SCHEMBL468025

Cc1nc(CS(=O)(=O)O)cs1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3545066 0.98 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL1272696 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL14562445 0.79 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL467943 0.79 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL1272693 0.79 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL468023 0.78 KMT2A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL20502491 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL23070909 0.76 SLC6A3 (0.40) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL24549368 0.74 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL20530847 0.71 MCHR1 (0.33) MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 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 (3 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-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO KMT2A 3527/4885MEN1 3862/4885ALDH1A1 4348/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C KMT2A 3554/4885MEN1 3881/4885ALDH1A1 4349/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 KMT2A 3236/4885MEN1 999/4885ALDH1A1 1389/4885

“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.