Sugi Predict

Sugi Predict / Compounds / SCHEMBL6754223

SCHEMBL6754223

SCHEMBL6754223

Cc1ccc2cc(OC(F)(F)F)ccc2[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPM1A P35813 2/20 0.38
▸ GPR3 P46089 4/20 0.38
▸ PIM1 P11309 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SCN4A P35499 1/20 0.34

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
SCHEMBL9015186 0.89 GPR3 (0.39) PPM1AGPR3PIM1FFAR4NPC1
SCHEMBL6090040 0.80 ACHE (0.49) RAB9AGAALMNACYP1A2KDM4E
SCHEMBL6752986 0.76 BACE1 (0.38) PIM1GAAKDM4EKIF11
SCHEMBL5912659 0.73 ACHE (0.41) PPM1AGPR3PIM1NPC1RAB9A
SCHEMBL9736974 0.73 CYP1A2 (0.39) NPC1RAB9ACYP1A2KDM4E
SCHEMBL9724136 0.72 CYP2A6 (0.48) GAALMNACYP1A2SMN1; SMN2HSD17B10
SCHEMBL12369504 0.72 GPR3 (0.59) GPR3PIM1FFAR4NPC1RAB9A
SCHEMBL9736952 0.69 CYP2A6 (0.39) NPC1RAB9AUSP2TP53CYP1A2
SCHEMBL15768408 0.69 MEN1 (0.46) CYP1A2CYP3A4CYP2C9ALOX15HSD17B10
SCHEMBL17186135 0.69 CYP2A6 (0.39) NPC1RAB9ALMNAPKMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 — — US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 — — US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 — — US disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 — — US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 — — 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 PPM1A 3784/4885GPR3 2514/4885PIM1 2750/4885

“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.