SCHEMBL6048207

SCHEMBL6048207

CC(=O)c1cccc(C=S)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
UNG P13051 1/20 0.46
CREBBP Q92793 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.40
TTR P02766 1/20 0.40
MAOB P27338 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
SCHEMBL11465197 0.83 MEN1 (0.49) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL29957449 0.82 UNG (0.68) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL18432542 0.82 UNG (0.68) UNGTDP1HPGDTTR
SCHEMBL1482839 0.82 UNG (0.68) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL28167538 0.80 KMT2A (0.46) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL5950219 0.80 MEN1 (0.46) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL14435609 0.80 MEN1 (0.46) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL4153267 0.80 TDP1 (0.50) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL29838039 0.80 TDP1 (0.50) ALDH1A1MEN1KMT2AUNGCREBBP
SCHEMBL3696065 0.78 KMT2A (0.45) ALDH1A1MEN1KMT2AUNGCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
EP-1577314-B1 Catalyst based on a transition metal complex for polymerization of olefins, and process for polymerization of olefins using the catalyst TOSOH CORP (JP) 2008-08-27 EP disclosed
US-20060229470-A1 Calcium receptor-active molecules NPS PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
EP-1210714-A4 HIGH DENSITY NON-VOLATILE MEMORY DEVICE UNIV (US) 2006-01-04 EP disclosed
EP-1553078-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-07-13 EP disclosed
EP-1466888-A1 Calcium receptor-active arylalkyl amines NPS PHARMACEUTICALS, INC. (US) 2004-10-13 EP disclosed
EP-1275635-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
EP-1210714-A2 HIGH DENSITY NON-VOLATILE MEMORY DEVICE The Regents of the University of California (US) 2002-06-05 EP disclosed
EP-1203761-A2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
US-6313146-B1 CAN BE USED FOR THERAPY OF DISEASES OR DISORDERS IN A PATIENT BY MODULATING ONE OR MORE INORGANIC ION RECEPTOR ACTIVITIES NPS PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-6011068-A CARBOCYCLIC-ALKYL SECONDARY AMINES NPS PHARMACEUTICALS, INC. (US) 2000-01-04 US disclosed
US-6001884-A Calcium receptor-active molecules NPS PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
US-5962314-A CERTAIN CELLS IN THE BODY RESPOND NOT ONLY TO CHEMICAL SIGNALS, BUT ALSO TO IONS SUCH AS EXTRACELLULAR CALCIUM IONS (CA.SUP.2+). THE INVENTION RELATES TO NUCLEIC ACIDS ENCODING SUCH RECEPTORS AND CELLS CONTAINING SUCH NUCLEIC ACIDS. NPS PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed
US-5858684-A CONTACTING RECOMBINANT CELL WITH TEST COMPOUND WHICH IS NOT VERAPAMIL OR GALLOPAMIL, DETERMINING ABILITY OF COMPOUND TO AFFECT ACTIVITIES OF INORGANIC ION RECEPTOR; DETERMINATION OF AGONIST AND ANTAGONIST DRUGS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1999-01-12 US disclosed
US-5763569-A POLYPEPTIDES AS CALCIUM RECEPTORS TO GENERATE ANTIBODIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 1998-06-09 US disclosed
US-5688938-A Calcium receptor-active molecules THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 1997-11-18 US disclosed
EP-0787122-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-08-06 EP disclosed
EP-0724561-A1 CALCIUM RECEPTOR-ACTIVE ARYLALKYL AMINES NPS PHARMACEUTICALS, INC. (US) 1996-08-07 EP disclosed
WO-1996012697-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1996-05-02 WO disclosed
WO-1995011221-A1 CALCIUM RECEPTOR-ACTIVE ARYLALKYL AMINES NPS PHARMACEUTICALS, INC. (US) 1995-04-27 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 (2 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-20060229470-A1 Calcium receptor-active molecules CASR, CALCR, ORAI1 ALDH1A1 4730/4885MEN1 3324/4885KMT2A 4522/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 ALDH1A1 4730/4885MEN1 3324/4885KMT2A 4522/4885

“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.