Sugi Predict

Sugi Predict / Compounds / SCHEMBL1464689

SCHEMBL1464689

SCHEMBL1464689

CCOC(=O)C(C)(C)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.50
▸ MMP8 P22894 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ABCB11 O95342 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL1465616 0.86 ALDH1A1 (0.46) PIN1MMP8POLBNPSR1ALDH1A1
SCHEMBL3344926 0.85 CA12 (0.47) PIN1MMP8ALDH1A1TP53TSHR
SCHEMBL15681420 0.84 TP53 (0.40) PIN1MMP8POLBNPSR1ALDH1A1
SCHEMBL8206622 0.83 PIN1 (0.47) PIN1MMP8POLBNPSR1ALDH1A1
SCHEMBL10570182 0.83 TP53 (0.45) PIN1POLBNPSR1ALDH1A1TP53
SCHEMBL3828825 0.83 CYP1A2 (0.49) PIN1MMP8ALDH1A1RECQLTP53
SCHEMBL766886 0.83 KMT2A (0.47) POLBNPSR1ALDH1A1TP53TSHR
SCHEMBL3284462 0.83 ALDH1A1 (0.46) PIN1MMP8NPSR1ALDH1A1TP53
SCHEMBL469433 0.83 CYP1A2 (0.56) POLBNPSR1ALDH1A1TP53TSHR
SCHEMBL3148977 0.83 L3MBTL1 (0.54) ALDH1A1MEN1KMT2ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 — — US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 — — US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 — — US disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 — — US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 — — US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 — — US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 — — US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 — — US disclosed
US-7615661-B2 Thioester compounds and their use in fragrance or flavor applications INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-11-10 — — US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 — — US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 — — US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 — — US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 — — US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 — — US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 — — US disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO disclosed
US-4059699-A O,O-diethyl-O-carboxamidophosphate esters and use to combat insects and mites GULF OIL CORPORATION (US) 1977-11-22 — — US disclosed
US-3994997-A MITICIDES, INSECTICIDES GULF OIL CORPORATION (US) 1976-11-30 — — 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 (3 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-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS ACOT7, PPT1, LYPLA1 PIN1 418/4885MMP8 4286/4885POLB 4406/4885
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 PIN1 1799/4885MMP8 1297/4885POLB 4271/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 PIN1 1726/4885MMP8 1266/4885POLB 4200/4885

“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.