Sugi Predict

Sugi Predict / Compounds / SCHEMBL4897157

SCHEMBL4897157

SCHEMBL4897157

CCC[CH]c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.39
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ LY96 Q9Y6Y9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL4889340 0.88 HSD11B1 (0.37) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL4886788 0.86 RECQL (0.38) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL4892657 0.84 HSD11B1 (0.43) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL18260189 0.79 HSD11B1 (0.46) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL18260191 0.79 HSD11B1 (0.46) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL18270037 0.79 HSD11B1 (0.46) HSD11B1TSHRALDH1A1IKBKBDYRK2
SCHEMBL27800444 0.77 TP53 (0.39) HSD11B1TSHRALDH1A1CHRNA7CYP1A2
SCHEMBL18243552 0.76 GABRA1 (0.34) TSHRALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL1610013 0.76 TSHR (0.48) TSHRALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL18242439 0.75 HTT (0.36) TSHRALDH1A1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 — — US disclosed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 — — 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 (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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 HSD11B1 4805/4885TSHR 1355/4885ALDH1A1 1204/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 HSD11B1 1223/4885TSHR 648/4885ALDH1A1 151/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 HSD11B1 1223/4885TSHR 648/4885ALDH1A1 151/4885

“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.