Sugi Predict

Sugi Predict / Compounds / SCHEMBL6876872

SCHEMBL6876872

SCHEMBL6876872

Cc1ccc(OC(F)F)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ BACE1 P56817 4/20 0.42
▸ ACHE P22303 1/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ BACE2 Q9Y5Z0 1/20 0.38
▸ TDP1 Q9NUW8 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
Ammonia Solution, Strong SCHEMBL19664447 0.98 ALDH1A1 (0.49) ALDH1A1BACE1ACHEMEN1KMT2A
SCHEMBL17816443 0.85 ACHE (0.40) ALDH1A1BACE1ACHEKMT2AMAPT
SCHEMBL14345864 0.84 ALDH1A1 (0.51) ALDH1A1ACHEMEN1KMT2AMAPT
SCHEMBL10821843 0.83 ALDH1A1 (0.46) ALDH1A1ACHEMEN1KMT2AMAPT
SCHEMBL900934 0.81 BACE1 (0.43) ALDH1A1BACE1MEN1KMT2AMAPT
SCHEMBL10052629 0.81 ALDH1A1 (0.49) ALDH1A1ACHEMEN1KMT2AMAPT
SCHEMBL8165999 0.81 ALDH1A1 (0.39) ALDH1A1BACE1MEN1KMT2AMAPT
SCHEMBL14325319 0.81 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3466564 0.80 ACHE (0.43) ALDH1A1ACHEMEN1KMT2AMAPT
SCHEMBL8280908 0.80 FFAR4 (0.43) ALDH1A1ACHEKMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 — — US disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 — — US disclosed
EP-3782987-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2021-02-24 — — EP disclosed
EP-2956443-B1 HYDANTOINS THAT MODULATE BACE-MEDIATED APP PROCESSING BUCK INST RES AGING (US) 2019-09-25 — — EP disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 — — US disclosed
US-9139574-B2 Tumor targeted drug combretastatin A4 derivative NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-09-22 — — US disclosed
US-9108981-B2 Cyclic P1 linkers as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-18 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-26 — — US disclosed
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 — — US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — US disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 — — US disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 — — US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 — — US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 — — US disclosed
WO-2011018510-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-02-17 — — WO disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 — — US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 — — US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 — — WO disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 — — 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 (7 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 1942/4885BACE1 1087/4885ACHE 837/4885
US-20120277174-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 ALDH1A1 1438/4885BACE1 1642/4885ACHE 242/4885
US-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B ALDH1A1 1654/4885BACE1 1814/4885ACHE 326/4885
US-20150057262-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS F11, F12, F13A1 ALDH1A1 2755/4885BACE1 299/4885ACHE 3265/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 ALDH1A1 3239/4885BACE1 4796/4885ACHE 3722/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT ALDH1A1 2343/4885BACE1 3811/4885ACHE 4001/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT ALDH1A1 2343/4885BACE1 3811/4885ACHE 4001/4885

“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.