SCHEMBL7473069

SCHEMBL7473069

O=C(O)C(Oc1ccccc1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSA P10619 11/20 0.43
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL7470027 0.88 NPC1 (0.42) NPC1RAB9ATP53THRBHPGD
SCHEMBL28257842 0.85 CTSA (0.45) NPC1RAB9ATP53THRBHPGD
SCHEMBL24327744 0.77 CTSA (0.40) CTSAALDH1A1
SCHEMBL24328848 0.77 CTSA (0.40) CTSAALDH1A1
SCHEMBL15921298 0.75 MEN1 (0.39) NPC1RAB9ATP53THRBHPGD
SCHEMBL5458246 0.74 CTSA (0.36) CTSAALDH1A1
SCHEMBL5458252 0.74 CTSA (0.36) CTSAALDH1A1
SCHEMBL5934583 0.73 PPARG (0.43) ALDH1A1ALOX5
SCHEMBL11063759 0.72 KDM4E (0.44) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11084533 0.72 SMN1; SMN2 (0.42) NPC1RAB9ATP53THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP claimed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP claimed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO claimed
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6380187-B2 FUNGICIDES YU DINGWEI TIM (US) 2002-04-30 US disclosed
US-20020002193-A1 Thiadiazole antifungal agents YU DINGWEI TIM (US) 2002-01-03 US disclosed
US-6281217-B2 ANTIFUNGAL ACTIVITY AGAINST A VARIETY OF FUNGI INCLUDING STRAINS WHICH HAVE PROVEN TO BE RESISTANT TO TREATMENT WITH KNOWN ANTIFUNGAL AGENTS SUCH AS FLUCONAZOLE. YU DINGWEI TIM (US) 2001-08-28 US disclosed
US-6277873-B1 CONTROLLING DRUG RESISTANT FUNGI YU DINGWEI TIM (US) 2001-08-21 US disclosed
US-20010000512-A1 Novel class of piperazino substituted thiazoles YU DINGWEI TIM (US) 2001-04-26 US disclosed
US-20010000177-A1 Novel class of thiomorpholino substituted thiazoles YU DINGWEI TIM (US) 2001-04-05 US disclosed
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES YU DINGWEI TIM (US) 2001-04-05 US disclosed
US-6156776-A Diaryl substituted thiazoles useful in the treatment of fungal infections YU DINGWEI TIM (US) 2000-12-05 US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
CN-1207094-A Phenyl thiazole derivatives with anti herpes virus properties BOEHRINGER INGELHEIM PHARMA (US) 1999-02-03 CN disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 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-20010000177-A1 Novel class of thiomorpholino substituted thiazoles THUMPD1, ERG28, THOC2 NPC1 1178/4885RAB9A 4242/4885TP53 3361/4885
US-20020002193-A1 Thiadiazole antifungal agents ERG28, NAT1, AADAC NPC1 763/4885RAB9A 3829/4885TP53 2479/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 NPC1 835/4885RAB9A 3881/4885TP53 2291/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 NPC1 1114/4885RAB9A 4224/4885TP53 1916/4885

“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.