Sugi Predict

Sugi Predict / Compounds / SCHEMBL21294874

SCHEMBL21294874

SCHEMBL21294874

Cc1cccc(C2=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)O)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 1/20 0.38
▸ KAT5 Q92993 1/20 0.38
▸ KDM1A O60341 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ ACACB O00763 2/20 0.35
▸ BRD9 Q9H8M2 2/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ GPR119 Q8TDV5 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
SCHEMBL29481998 1.00 KAT6A (0.38) KAT6AKAT5KDM1AMAOBALDH1A1
SCHEMBL21311669 0.88 CTSB (0.38) KDM1AMAOBBTKTDP1BRD4
SCHEMBL29482047 0.88 CTSB (0.38) KDM1AMAOBBTKTDP1BRD4
SCHEMBL20063892 0.86 KDM1A (0.38) KDM1AMAOBALDH1A1MAPTBTK
SCHEMBL20063881 0.86 KDM1A (0.38) KDM1AMAOBALDH1A1MAPTBTK
SCHEMBL21306729 0.86 KAT6A (0.38) KAT6AKAT5KDM1AMAOBBRD4
SCHEMBL21306631 0.84 KAT6A (0.37) KAT6AKAT5KDM1AMAOBBRD4
SCHEMBL21306759 0.81 KAT6A (0.36) KAT6AKAT5KDM1AMAOBBRD4
SCHEMBL20072839 0.79 HDAC4 (0.41) KDM1AMAOBMAPTBTKNFKB1
SCHEMBL20063683 0.77 POLB (0.46) KDM1AMAOBALDH1A1LMNABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 — — US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 — — US disclosed
US-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 — — US disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 — — WO disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 — — US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 — — 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 KAT6A 1591/4885KAT5 1610/4885KDM1A 4612/4885
US-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 KAT6A 3612/4885KAT5 2309/4885KDM1A 3431/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 KAT6A 3612/4885KAT5 2309/4885KDM1A 3431/4885

“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.