SCHEMBL9964412

SCHEMBL9964412

C[C@@H](Oc1ccc(-c2cc(O)n[s+]2[O-])cc1)c1cccc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
FFAR1 O14842 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP8 Q96LD8 1/20 0.30

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
SCHEMBL9964410 1.00 ADAMTS4 (0.33) ADAMTS4MMP13LTB4RLTB4R2FFAR1
SCHEMBL9964407 0.86 DHFR (0.37) ADAMTS4MMP13LTB4RLTB4R2
SCHEMBL9934351 0.81 IDO1 (0.37)
SCHEMBL22290422 0.71 IDO1 (0.49) LTB4RLTB4R2FFAR1MEN1KMT2A
SCHEMBL30688646 0.71 IDO1 (0.49) LTB4RLTB4R2FFAR1MEN1KMT2A
SCHEMBL8311711 0.70 MAOB (0.43) MAOB
SCHEMBL3319428 0.61 IDO1 (0.46) MEN1TP53MAPTMAPK1KMT2A
SCHEMBL811476 0.61 MAPT (0.43) MEN1NPC1MAPTHPGDMAPK1
SCHEMBL9854807 0.60 PPARA (0.44) LTB4RLTB4R2FFAR1MAPTTSHR
SCHEMBL27502505 0.59 ALDH1A1 (0.44) NPC1CASP3RAB9ASENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (1 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 ADAMTS4 4614/4885MMP13 3145/4885LTB4R 708/4885

“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.