SCHEMBL3365644

SCHEMBL3365644

[CH2]c1cccc(CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.58
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ RGS12 O14924 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ GNAI1 P63096 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL70565 0.84 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19LMNAGAA
Hydrochloric Acid SCHEMBL8922940 0.82 AKR1B1 (0.68) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL4402323 0.78 AKR1B1 (0.62) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL296942 0.78 AKR1B1 (0.48) AKR1B1LMNAGAATSHRKDM4E
SCHEMBL5051567 0.78 AKR1B1 (0.56) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL3362670 0.77 SLC7A5 (0.55) LMNAGAATSHRKDM4EMAPT
3-Hydroxyphenylacetate SCHEMBL21114397 0.77 CTBP2 (0.62) AKR1B1CYP1A2CYP2C19LMNAGAA
SCHEMBL21597977 0.77 HTR3E (0.33) CYP1A2CYP2C19POLBNFKB1ALDH1A1
3-Hydroxyphenylacetate SCHEMBL30690861 0.77 CTBP2 (0.62) AKR1B1CYP1A2CYP2C19LMNAGAA
3-Hydroxyphenylacetate SCHEMBL337470 0.77 CTBP2 (0.62) AKR1B1CYP1A2CYP2C19LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 — — US claimed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 — — EP claimed
CN-101035771-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 — — CN claimed
EP-1776349-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 — — EP claimed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 — — US claimed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 — — WO claimed
CN-118330059-A Method for simultaneously measuring contents of 6 volatile components in jasmine flower liquid by adopting rapid gas chromatography 广西—东盟食品检验检测中心 2024-07-12 — — CN disclosed
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 — — CN disclosed
US-8436006-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 — — US disclosed
US-8426429-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-04-23 — — US disclosed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 — — US disclosed
EP-1776350-B1 NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE ( BACE ) JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 — — EP disclosed
CN-101035772-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 — — CN disclosed
CN-1063104-A Trifluoromethyl 1-carbon (1-desulfuration) cephem LILLY CO ELI (US) 1992-07-29 — — CN disclosed
CN-1015103-B PROCESS FOR PREPARING 3-HALO-1-CARBO-3-CEPHEM-4-CARBOXYLIC ACID AND ITS DERIV. HARVARD COLLEGE (US) 1991-12-18 — — CN disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
US-4698338-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1987-10-06 — — US disclosed
EP-0233780-A2 O-substituted oximino cephalosporins ELI LILLY AND COMPANY (US) 1987-08-26 — — EP disclosed
CN-86105247-A Antibiotic intermediate and preparation method — 1987-02-04 — — CN 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 (1 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-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP AKR1B1 2311/4885CYP1A2 1004/4885CYP2C19 2041/4885

“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.

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