SCHEMBL2224453

SCHEMBL2224453

O=C1NC(=S)SC1=Cc1cc(-c2ccccc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 4/20 0.66
▸ PIM1 P11309 9/20 0.63
▸ CA2 P00918 1/20 0.60
▸ EPHX1 P07099 1/20 0.60
▸ PTP4A3 O75365 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MMP3 P08254 2/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL2224451 1.00 NAT1 (0.66) NAT1PIM1CA2EPHX1PTP4A3
SCHEMBL13243991 0.86 PIM1 (0.59) NAT1PIM1
SCHEMBL1243983 0.82 PIM1 (0.55) NAT1PIM1CA2EPHX1PTP4A3
SCHEMBL1243984 0.82 PIM1 (0.55) NAT1PIM1CA2EPHX1PTP4A3
SCHEMBL1243980 0.82 PIM1 (0.55) NAT1PIM1CA2EPHX1PTP4A3
SCHEMBL1247510 0.80 NAT1 (1.00) NAT1PIM1CA2EPHX1MEN1
SCHEMBL10596480 0.80 NAT1 (1.00) NAT1PIM1CA2EPHX1MEN1
SCHEMBL1247509 0.80 NAT1 (1.00) NAT1PIM1CA2EPHX1MEN1
SCHEMBL18102962 0.79 NAT1 (0.76) NAT1PIM1CA2EPHX1MEN1
SCHEMBL19991267 0.79 NAT1 (0.76) NAT1PIM1CA2EPHX1MEN1

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
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 — — EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 — — US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 — — US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 — — WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY NAT1 299/4885PIM1 4317/4885CA2 1856/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY NAT1 299/4885PIM1 4317/4885CA2 1856/4885

“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.

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