Sugi Predict

Sugi Predict / Compounds / SCHEMBL177168

SCHEMBL177168

SCHEMBL177168

CCCOc1ccc(C=O)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.54
▸ ALDH1A1 P00352 11/20 0.50
▸ ALDH1A3 P47895 2/20 0.50
▸ ALDH3A1 P30838 1/20 0.50
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HPGD P15428 5/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ AOX1 Q06278 1/20 0.41

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
SCHEMBL8024512 0.92 FDPS (0.53) FDPSALDH1A1ALDH1A3ALDH3A1MAPT
SCHEMBL14195842 0.89 THRA (0.51) FDPSALDH1A1ALDH1A3ALDH3A1MAPT
SCHEMBL493460 0.86 ALDH1A1 (0.60) FDPSALDH1A1ALDH1A3ALDH3A1MAPT
SCHEMBL4959651 0.85 FDPS (0.61) FDPSALDH1A1ALDH1A3MAPTSMN1; SMN2
SCHEMBL29655033 0.85 FDPS (0.61) FDPSALDH1A1ALDH1A3MAPTSMN1; SMN2
SCHEMBL5882634 0.84 FDPS (0.69) FDPSALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL16951793 0.83 HPGD (0.44) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL3923180 0.83 FDPS (0.50) FDPSALDH1A1ALDH1A3ALDH3A1MAPT
SCHEMBL15708974 0.83 HTR7 (0.55) FDPSALDH1A1ALDH1A3ALDH3A1MAPT
SCHEMBL28801573 0.83 FDPS (0.50) FDPSALDH1A1ALDH1A3ALDH3A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2023-04-04 — — US disclosed
US-20210196684-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2021-07-01 — — US disclosed
US-10980781-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2021-04-20 — — US disclosed
US-20200078336-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2020-03-12 — — US disclosed
WO-2018183587-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2018-10-04 — — WO disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 — — US disclosed
CN-102186845-B S1P receptor modulators and their purposes 阿卡制药有限公司 2016-09-07 — — CN disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 — — EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 — — US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 — — US disclosed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 — — WO disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 — — US disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 — — WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 — — WO disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 — — US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 — — EP 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 (6 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 FDPS 941/4885ALDH1A1 3172/4885ALDH1A3 3968/4885
US-20200078336-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE USP7, USP3, USP2 FDPS 2457/4885ALDH1A1 647/4885ALDH1A3 1283/4885
US-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 FDPS 1856/4885ALDH1A1 495/4885ALDH1A3 1024/4885
US-20210196684-A1 6-AMINO-2,4-DIHYDROPYRANO [2,3-C] PYRAZOLES AND METHODS OF USE USP7, USP3, USP2 FDPS 2457/4885ALDH1A1 647/4885ALDH1A3 1283/4885
US-10980781-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 FDPS 2457/4885ALDH1A1 647/4885ALDH1A3 1283/4885
US-11617738-B2 6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use USP7, USP3, USP2 FDPS 2457/4885ALDH1A1 647/4885ALDH1A3 1283/4885

“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.